N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine

C189H116N4OS — CID 165083383

IUPACN-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6ccccc56)c5cccc2c45)c2cccc4cccc-3c24)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4cccc5cccc2c45)c2cccc4c(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc-3c24)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4cccc5cccc2c45)c2cccc4c(N(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5cccc6ccccc56)ccc-3c24)cc1
InChIInChI=1S/C67H42N2.C61H37NO.C61H37NS/c1-3-17-43(18-4-1)46-35-37-51-55-39-40-63(56-29-16-32-59(66(55)56)67(60(51)41-46)57-30-11-9-26-50(57)54-28-13-21-45-22-14-31-58(67)65(45)54)69(61-34-15-20-44-19-7-8-25-49(44)61)48-36-38-53-52-27-10-12-33-62(52)68(64(53)42-48)47-23-5-2-6-24-47;1-2-14-38(15-3-1)41-30-32-45-49-34-35-56(62(55-28-12-17-39-16-4-5-20-43(39)55)42-31-33-47-46-22-7-9-29-57(46)63-58(47)37-42)50-24-13-27-53(60(49)50)61(54(45)36-41)51-25-8-6-21-44(51)48-23-10-18-40-19-11-26-52(61)59(40)48;1-2-14-38(15-3-1)41-30-32-45-48-23-10-18-40-19-11-26-52(59(40)48)61(54(45)36-41)51-25-8-6-21-44(51)49-34-35-56(50-24-13-27-53(61)60(49)50)62(55-28-12-17-39-16-4-5-20-43(39)55)42-31-33-47-46-22-7-9-29-57(46)63-58(47)37-42/h1-42H;2*1-37H
InChIKeyVMOAFDOEWWWENM-UHFFFAOYSA-N
MW2491.10 g/mol
LogP51.24
Rot. Bonds13

About N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine

N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine (PubChem CID 165083383) has the molecular formula C189H116N4OS and a molecular weight of 2491.10 g/mol. Its IUPAC name is N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine
PubChem CID165083383
Molecular FormulaC189H116N4OS
Molecular Weight2491.10 g/mol
Exact Mass2488.89
IUPAC NameN-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6ccccc56)c5cccc2c45)c2cccc4cccc-3c24)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4cccc5cccc2c45)c2cccc4c(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc-3c24)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4cccc5cccc2c45)c2cccc4c(N(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5cccc6ccccc56)ccc-3c24)cc1
InChIInChI=1S/C67H42N2.C61H37NO.C61H37NS/c1-3-17-43(18-4-1)46-35-37-51-55-39-40-63(56-29-16-32-59(66(55)56)67(60(51)41-46)57-30-11-9-26-50(57)54-28-13-21-45-22-14-31-58(67)65(45)54)69(61-34-15-20-44-19-7-8-25-49(44)61)48-36-38-53-52-27-10-12-33-62(52)68(64(53)42-48)47-23-5-2-6-24-47;1-2-14-38(15-3-1)41-30-32-45-49-34-35-56(62(55-28-12-17-39-16-4-5-20-43(39)55)42-31-33-47-46-22-7-9-29-57(46)63-58(47)37-42)50-24-13-27-53(60(49)50)61(54(45)36-41)51-25-8-6-21-44(51)48-23-10-18-40-19-11-26-52(61)59(40)48;1-2-14-38(15-3-1)41-30-32-45-48-23-10-18-40-19-11-26-52(59(40)48)61(54(45)36-41)51-25-8-6-21-44(51)49-34-35-56(50-24-13-27-53(61)60(49)50)62(55-28-12-17-39-16-4-5-20-43(39)55)42-31-33-47-46-22-7-9-29-57(46)63-58(47)37-42/h1-42H;2*1-37H
InChIKeyVMOAFDOEWWWENM-UHFFFAOYSA-N
XLogP51.24
TPSA27.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms195
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002491.10
LogP ≤ 551.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine with MolForge

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Related Compounds

N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine
CID 164990036
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-9-ylcarbazol-2-amine
CID 164732009
4-N,9-N-bis(9,9-dimethylfluoren-2-yl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-di(dibenzofuran-2-yl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-di(dibenzothiophen-3-yl)-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N-dinaphthalen-1-yl-4-N,9-N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,4-N,9-N,9-N,15-pentakis-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N,15-triphenyl-4-N,9-N-bis(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine;4-N,9-N,15-triphenyl-4-N,9-N-bis(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-4,9-diamine
CID 159087544
9-dibenzothiophen-2-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylcarbazol-2-amine
CID 164732018
N-[4-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine;N-[4-[3-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine;N-[4-[2-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[3-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-[4-[3-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 160839602
9-dibenzothiophen-3-yl-N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-xanthene]-9-ylcarbazol-2-amine
CID 164794886
N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
CID 164732106
9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine
CID 171418788
N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 170240687
N-dibenzofuran-3-yl-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164794269
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-yldibenzothiophen-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 157330942
N-dibenzofuran-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-dibenzothiophen-3-yl-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9-naphthalen-1-yl-9-phenylxanthen-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-2'-amine
CID 165105589

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine?
The IUPAC name of N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine (CID 165083383) is N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5cccc6ccccc56)c5cccc2c45)c2cccc4cccc-3c24)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4cccc5cccc2c45)c2cccc4c(N(c5ccc6c(c5)oc5ccccc56)c5cccc6ccccc56)ccc-3c24)cc1.c1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4cccc5cccc2c45)c2cccc4c(N(c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5cccc6ccccc56)ccc-3c24)cc1.
What is the InChIKey of N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine?
The InChIKey is VMOAFDOEWWWENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N2.C61H37NO.C61H37NS/c1-3-17-43(18-4-1)46-35-37-51-55-39-40-63(56-29-16-32-59(66(55)56)67(60(51)41-46)57-30-11-9-26-50(57)54-28-13-21-45-22-14-31-58(67)65(45)54)69(61-34-15-20-44-19-7-8-25-49(44)61)48-36-38-53-52-27-10-12-33-62(52)68(64(53)42-48)47-23-5-2-6-24-47;1-2-14-38(15-3-1)41-30-32-45-49-34-35-56(62(55-28-12-17-39-16-4-5-20-43(39)55)42-31-33-47-46-22-7-9-29-57(46)63-58(47)37-42)50-24-13-27-53(60(49)50)61(54(45)36-41)51-25-8-6-21-44(51)48-23-10-18-40-19-11-26-52(61)59(40)48;1-2-14-38(15-3-1)41-30-32-45-48-23-10-18-40-19-11-26-52(59(40)48)61(54(45)36-41)51-25-8-6-21-44(51)49-34-35-56(50-24-13-27-53(61)60(49)50)62(55-28-12-17-39-16-4-5-20-43(39)55)42-31-33-47-46-22-7-9-29-57(46)63-58(47)37-42/h1-42H;2*1-37H.
What are the key properties of N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine?
N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine has a molecular weight of 2491.10 g/mol, XLogP of 51.24, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 165083383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).