9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline

C119H80N4S2 — CID 159416339

IUPAC9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4sc4ccccc45)c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C61H42N2S.C58H38N2S/c1-61(2)53-26-11-8-23-47(53)48-35-34-45(37-54(48)61)62(43-32-30-40(31-33-43)39-16-4-3-5-17-39)44-21-14-20-42(36-44)51-38-52-49-24-9-12-27-56(49)63(55-28-15-19-41-18-6-7-22-46(41)55)59(52)58-50-25-10-13-29-57(50)64-60(51)58;1-3-15-39(16-4-1)41-29-33-45(34-30-41)59(46-35-31-42(32-36-46)40-17-5-2-6-18-40)47-22-13-21-44(37-47)51-38-52-49-24-9-11-26-54(49)60(53-27-14-20-43-19-7-8-23-48(43)53)57(52)56-50-25-10-12-28-55(50)61-58(51)56/h3-38H,1-2H3;1-38H
InChIKeyLPFBASOTKAREFU-UHFFFAOYSA-N
MW1630.11 g/mol
LogP34.19
Rot. Bonds13

About 9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline

9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 159416339) has the molecular formula C119H80N4S2 and a molecular weight of 1630.11 g/mol. Its IUPAC name is 9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline
PubChem CID159416339
Molecular FormulaC119H80N4S2
Molecular Weight1630.11 g/mol
Exact Mass1628.58
IUPAC Name9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4sc4ccccc45)c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C61H42N2S.C58H38N2S/c1-61(2)53-26-11-8-23-47(53)48-35-34-45(37-54(48)61)62(43-32-30-40(31-33-43)39-16-4-3-5-17-39)44-21-14-20-42(36-44)51-38-52-49-24-9-12-27-56(49)63(55-28-15-19-41-18-6-7-22-46(41)55)59(52)58-50-25-10-13-29-57(50)64-60(51)58;1-3-15-39(16-4-1)41-29-33-45(34-30-41)59(46-35-31-42(32-36-46)40-17-5-2-6-18-40)47-22-13-21-44(37-47)51-38-52-49-24-9-11-26-54(49)60(53-27-14-20-43-19-7-8-23-48(43)53)57(52)56-50-25-10-12-28-55(50)61-58(51)56/h3-38H,1-2H3;1-38H
InChIKeyLPFBASOTKAREFU-UHFFFAOYSA-N
XLogP34.19
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms125
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001630.11
LogP ≤ 534.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline with MolForge

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Related Compounds

9,9-dimethyl-N-[3-(12-naphthalen-2-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122578472
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-yl]phenyl]fluoren-2-amine
CID 157394315
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393540
9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393624
9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 135225112
4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 59171720
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-1-amine
CID 155004194
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167322095
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-[4-(11-naphthalen-1-ylbenzo[a]carbazol-8-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 160984128
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-24-(4-phenylphenyl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaen-20-amine
CID 129038207
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-amine
CID 59171796

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline (CID 159416339) is 9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4sc4ccccc45)c3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4sc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is LPFBASOTKAREFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2S.C58H38N2S/c1-61(2)53-26-11-8-23-47(53)48-35-34-45(37-54(48)61)62(43-32-30-40(31-33-43)39-16-4-3-5-17-39)44-21-14-20-42(36-44)51-38-52-49-24-9-12-27-56(49)63(55-28-15-19-41-18-6-7-22-46(41)55)59(52)58-50-25-10-13-29-57(50)64-60(51)58;1-3-15-39(16-4-1)41-29-33-45(34-30-41)59(46-35-31-42(32-36-46)40-17-5-2-6-18-40)47-22-13-21-44(37-47)51-38-52-49-24-9-11-26-54(49)60(53-27-14-20-43-19-7-8-23-48(43)53)57(52)56-50-25-10-12-28-55(50)61-58(51)56/h3-38H,1-2H3;1-38H.
What are the key properties of 9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline?
9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 1630.11 g/mol, XLogP of 34.19, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;3-(12-naphthalen-1-yl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 159416339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).