N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine

C67H42N2OS — CID 122462823

IUPACN-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)sc5ccccc56)c5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C67H42N2OS/c1-4-18-45(19-5-1)67(46-20-6-2-7-21-46)58-28-14-10-24-50(58)51-35-33-48(41-59(51)67)68(49-34-36-55-54-27-13-17-31-64(54)71-65(55)42-49)62-40-44(39-57-53-26-12-16-30-63(53)70-66(57)62)43-32-37-61-56(38-43)52-25-11-15-29-60(52)69(61)47-22-8-3-9-23-47/h1-42H
InChIKeyBTCMKDJBEJTGLS-UHFFFAOYSA-N
MW923.15 g/mol
LogP18.55
Rot. Bonds7

About N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine

N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine (PubChem CID 122462823) has the molecular formula C67H42N2OS and a molecular weight of 923.15 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine
PubChem CID122462823
Molecular FormulaC67H42N2OS
Molecular Weight923.15 g/mol
Exact Mass922.30
IUPAC NameN-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)sc5ccccc56)c5oc6ccccc6c5c4)ccc32)cc1
InChIInChI=1S/C67H42N2OS/c1-4-18-45(19-5-1)67(46-20-6-2-7-21-46)58-28-14-10-24-50(58)51-35-33-48(41-59(51)67)68(49-34-36-55-54-27-13-17-31-64(54)71-65(55)42-49)62-40-44(39-57-53-26-12-16-30-63(53)70-66(57)62)43-32-37-61-56(38-43)52-25-11-15-29-60(52)69(61)47-22-8-3-9-23-47/h1-42H
InChIKeyBTCMKDJBEJTGLS-UHFFFAOYSA-N
XLogP18.55
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.15
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzothiophen-3-amine
CID 160655489
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine
CID 167277021
N-(9-dibenzothiophen-3-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine;N,N,9-triphenyl-9-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 157084846
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 89426453
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 89426464
N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 158676127
N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 161079248
3-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]naphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-3-dibenzothiophen-2-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 158939425
N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641615
N-(9,9-diphenylfluoren-2-yl)-6-phenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 129256025
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 162233532
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 157101340

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine (CID 122462823) is N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine is c1ccc(-n2c3ccccc3c3cc(-c4cc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(c5)sc5ccccc56)c5oc6ccccc6c5c4)ccc32)cc1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine?
The InChIKey is BTCMKDJBEJTGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2OS/c1-4-18-45(19-5-1)67(46-20-6-2-7-21-46)58-28-14-10-24-50(58)51-35-33-48(41-59(51)67)68(49-34-36-55-54-27-13-17-31-64(54)71-65(55)42-49)62-40-44(39-57-53-26-12-16-30-63(53)70-66(57)62)43-32-37-61-56(38-43)52-25-11-15-29-60(52)69(61)47-22-8-3-9-23-47/h1-42H.
What are the key properties of N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine?
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine has a molecular weight of 923.15 g/mol, XLogP of 18.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzofuran-4-amine is sourced from PubChem (CID 122462823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).