9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C67H44N2S — CID 135225112

IUPAC9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4sc4ccccc45)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C67H44N2S/c1-5-20-45(21-6-1)46-36-38-51(39-37-46)68(53-40-41-55-54-30-13-16-33-60(54)67(61(55)43-53,48-23-7-2-8-24-48)49-25-9-3-10-26-49)52-29-19-22-47(42-52)58-44-59-56-31-14-17-34-62(56)69(50-27-11-4-12-28-50)65(59)64-57-32-15-18-35-63(57)70-66(58)64/h1-44H
InChIKeyFXKBAWHUYVSMOZ-UHFFFAOYSA-N
MW909.17 g/mol
LogP18.32
Rot. Bonds8

About 9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 135225112) has the molecular formula C67H44N2S and a molecular weight of 909.17 g/mol. Its IUPAC name is 9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID135225112
Molecular FormulaC67H44N2S
Molecular Weight909.17 g/mol
Exact Mass908.32
IUPAC Name9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4sc4ccccc45)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C67H44N2S/c1-5-20-45(21-6-1)46-36-38-51(39-37-46)68(53-40-41-55-54-30-13-16-33-60(54)67(61(55)43-53,48-23-7-2-8-24-48)49-25-9-3-10-26-49)52-29-19-22-47(42-52)58-44-59-56-31-14-17-34-62(56)69(50-27-11-4-12-28-50)65(59)64-57-32-15-18-35-63(57)70-66(58)64/h1-44H
InChIKeyFXKBAWHUYVSMOZ-UHFFFAOYSA-N
XLogP18.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500909.17
LogP ≤ 518.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-N-(9,9-diphenylfluoren-2-yl)-1-N-phenyl-5-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 134275278
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-[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
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N-[4-[3,5-bis(9-phenylcarbazol-1-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118289063
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)-N-(4-phenylphenyl)aniline
CID 145159755
3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-5-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 134275264
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424709
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,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 135225112) is 9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is c1ccc(-c2ccc(N(c3cccc(-c4cc5c6ccccc6n(-c6ccccc6)c5c5c4sc4ccccc45)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is FXKBAWHUYVSMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2S/c1-5-20-45(21-6-1)46-36-38-51(39-37-46)68(53-40-41-55-54-30-13-16-33-60(54)67(61(55)43-53,48-23-7-2-8-24-48)49-25-9-3-10-26-49)52-29-19-22-47(42-52)58-44-59-56-31-14-17-34-62(56)69(50-27-11-4-12-28-50)65(59)64-57-32-15-18-35-63(57)70-66(58)64/h1-44H.
What are the key properties of 9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 909.17 g/mol, XLogP of 18.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-N-[3-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 135225112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).