N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine

C307H198N6O3S5 — CID 159740709

IUPACN-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c6ccccc6sc54)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4sc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/2C57H35NS2.C55H35NS.3C46H31NO/c1-2-13-36(14-3-1)37-25-29-39(30-26-37)58(40-31-27-38(28-32-40)42-19-12-20-48-54-47-18-7-11-24-53(47)59-56(54)60-55(42)48)41-33-34-46-45-17-6-10-23-51(45)57(52(46)35-41)49-21-8-4-15-43(49)44-16-5-9-22-50(44)57;1-2-13-36(14-3-1)37-25-29-39(30-26-37)58(40-31-27-38(28-32-40)42-19-12-20-48-54(42)60-55-47-18-7-11-24-53(47)59-56(48)55)41-33-34-46-45-17-6-10-23-51(45)57(52(46)35-41)49-21-8-4-15-43(49)44-16-5-9-22-50(44)57;1-2-12-36(13-3-1)37-22-27-40(28-23-37)56(42-31-33-48-47-17-7-11-21-53(47)57-54(48)35-42)41-29-24-38(25-30-41)39-26-32-46-45-16-6-10-20-51(45)55(52(46)34-39)49-18-8-4-14-43(49)44-15-5-9-19-50(44)55;1-2-9-32(10-3-1)33-17-24-38(25-18-33)47(40-28-21-36(22-29-40)42-15-8-12-35-11-4-5-13-41(35)42)39-26-19-34(20-27-39)37-23-30-46-44(31-37)43-14-6-7-16-45(43)48-46;1-2-9-32(10-3-1)34-19-25-39(26-20-34)47(40-27-21-35(22-28-40)38-18-17-33-11-4-5-12-37(33)31-38)41-29-23-36(24-30-41)42-14-8-15-44-43-13-6-7-16-45(43)48-46(42)44;1-2-8-32(9-3-1)34-16-23-40(24-17-34)47(41-25-18-35(19-26-41)38-15-14-33-10-4-5-11-37(33)30-38)42-27-20-36(21-28-42)39-22-29-46-44(31-39)43-12-6-7-13-45(43)48-46/h2*1-35H;1-35H;3*1-31H
InChIKeyNCKNXTWWKCDSLH-UHFFFAOYSA-N
MW4179.33 g/mol
LogP87.66
Rot. Bonds33

About N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine

N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine (PubChem CID 159740709) has the molecular formula C307H198N6O3S5 and a molecular weight of 4179.33 g/mol. Its IUPAC name is N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine
PubChem CID159740709
Molecular FormulaC307H198N6O3S5
Molecular Weight4179.33 g/mol
Exact Mass4175.41
IUPAC NameN-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c6ccccc6sc54)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4sc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/2C57H35NS2.C55H35NS.3C46H31NO/c1-2-13-36(14-3-1)37-25-29-39(30-26-37)58(40-31-27-38(28-32-40)42-19-12-20-48-54-47-18-7-11-24-53(47)59-56(54)60-55(42)48)41-33-34-46-45-17-6-10-23-51(45)57(52(46)35-41)49-21-8-4-15-43(49)44-16-5-9-22-50(44)57;1-2-13-36(14-3-1)37-25-29-39(30-26-37)58(40-31-27-38(28-32-40)42-19-12-20-48-54(42)60-55-47-18-7-11-24-53(47)59-56(48)55)41-33-34-46-45-17-6-10-23-51(45)57(52(46)35-41)49-21-8-4-15-43(49)44-16-5-9-22-50(44)57;1-2-12-36(13-3-1)37-22-27-40(28-23-37)56(42-31-33-48-47-17-7-11-21-53(47)57-54(48)35-42)41-29-24-38(25-30-41)39-26-32-46-45-16-6-10-20-51(45)55(52(46)34-39)49-18-8-4-14-43(49)44-15-5-9-19-50(44)55;1-2-9-32(10-3-1)33-17-24-38(25-18-33)47(40-28-21-36(22-29-40)42-15-8-12-35-11-4-5-13-41(35)42)39-26-19-34(20-27-39)37-23-30-46-44(31-37)43-14-6-7-16-45(43)48-46;1-2-9-32(10-3-1)34-19-25-39(26-20-34)47(40-27-21-35(22-28-40)38-18-17-33-11-4-5-12-37(33)31-38)41-29-23-36(24-30-41)42-14-8-15-44-43-13-6-7-16-45(43)48-46(42)44;1-2-8-32(9-3-1)34-16-23-40(24-17-34)47(41-25-18-35(19-26-41)38-15-14-33-10-4-5-11-37(33)30-38)42-27-20-36(21-28-42)39-22-29-46-44(31-39)43-12-6-7-13-45(43)48-46/h2*1-35H;1-35H;3*1-31H
InChIKeyNCKNXTWWKCDSLH-UHFFFAOYSA-N
XLogP87.66
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms321
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004179.33
LogP ≤ 587.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 158172410
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-naphtho[2,3-b][1]benzothiol-2-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 161371541
N-phenanthren-3-yl-2-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168805359
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-3-amine
CID 168804690
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine
CID 168805153
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 161255866
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 162198372
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 157172121
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535193

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine (CID 159740709) is N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4c6ccccc6sc54)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4sc6ccccc6c45)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine?
The InChIKey is NCKNXTWWKCDSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H35NS2.C55H35NS.3C46H31NO/c1-2-13-36(14-3-1)37-25-29-39(30-26-37)58(40-31-27-38(28-32-40)42-19-12-20-48-54-47-18-7-11-24-53(47)59-56(54)60-55(42)48)41-33-34-46-45-17-6-10-23-51(45)57(52(46)35-41)49-21-8-4-15-43(49)44-16-5-9-22-50(44)57;1-2-13-36(14-3-1)37-25-29-39(30-26-37)58(40-31-27-38(28-32-40)42-19-12-20-48-54(42)60-55-47-18-7-11-24-53(47)59-56(48)55)41-33-34-46-45-17-6-10-23-51(45)57(52(46)35-41)49-21-8-4-15-43(49)44-16-5-9-22-50(44)57;1-2-12-36(13-3-1)37-22-27-40(28-23-37)56(42-31-33-48-47-17-7-11-21-53(47)57-54(48)35-42)41-29-24-38(25-30-41)39-26-32-46-45-16-6-10-20-51(45)55(52(46)34-39)49-18-8-4-14-43(49)44-15-5-9-19-50(44)55;1-2-9-32(10-3-1)33-17-24-38(25-18-33)47(40-28-21-36(22-29-40)42-15-8-12-35-11-4-5-13-41(35)42)39-26-19-34(20-27-39)37-23-30-46-44(31-37)43-14-6-7-16-45(43)48-46;1-2-9-32(10-3-1)34-19-25-39(26-20-34)47(40-27-21-35(22-28-40)38-18-17-33-11-4-5-12-37(33)31-38)41-29-23-36(24-30-41)42-14-8-15-44-43-13-6-7-16-45(43)48-46(42)44;1-2-8-32(9-3-1)34-16-23-40(24-17-34)47(41-25-18-35(19-26-41)38-15-14-33-10-4-5-11-37(33)30-38)42-27-20-36(21-28-42)39-22-29-46-44(31-39)43-12-6-7-13-45(43)48-46/h2*1-35H;1-35H;3*1-31H.
What are the key properties of N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine?
N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine has a molecular weight of 4179.33 g/mol, XLogP of 87.66, 33 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzothiolo[2,3-b][1]benzothiol-4-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-[4-([1]benzothiolo[3,2-b][1]benzothiol-1-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 159740709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).