3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline

C67H46N2 — CID 118349360

IUPAC3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c6ccccc6n(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c5c4)c3)cc2)cc1
InChIInChI=1S/C67H46N2/c1-5-21-47(22-6-1)56-31-13-14-32-57(56)48-39-42-54(43-40-48)68(53-28-11-4-12-29-53)55-30-19-23-49(45-55)50-41-44-59-58-33-16-18-37-63(58)69(65(59)46-50)64-38-20-36-62-66(64)60-34-15-17-35-61(60)67(62,51-24-7-2-8-25-51)52-26-9-3-10-27-52/h1-46H
InChIKeySEBXEMCWMXPGDE-UHFFFAOYSA-N
MW879.12 g/mol
LogP17.62
Rot. Bonds9

About 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline

3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline (PubChem CID 118349360) has the molecular formula C67H46N2 and a molecular weight of 879.12 g/mol. Its IUPAC name is 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
PubChem CID118349360
Molecular FormulaC67H46N2
Molecular Weight879.12 g/mol
Exact Mass878.37
IUPAC Name3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c6ccccc6n(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c5c4)c3)cc2)cc1
InChIInChI=1S/C67H46N2/c1-5-21-47(22-6-1)56-31-13-14-32-57(56)48-39-42-54(43-40-48)68(53-28-11-4-12-29-53)55-30-19-23-49(45-55)50-41-44-59-58-33-16-18-37-63(58)69(65(59)46-50)64-38-20-36-62-66(64)60-34-15-17-35-61(60)67(62,51-24-7-2-8-25-51)52-26-9-3-10-27-52/h1-46H
InChIKeySEBXEMCWMXPGDE-UHFFFAOYSA-N
XLogP17.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 517.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118349357
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118349359
N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118337172
2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118265642
N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118265653
N-[3-[2-[9-(9,9-diphenylfluoren-1-yl)carbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[3-[2-[9-(9,9-diphenylfluoren-1-yl)carbazol-2-yl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[3-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[3-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 159417227
9-[4-(9,9-diphenylfluoren-4-yl)-2-phenylphenyl]-N-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 171418861
N-[4-[3-[9-(9,9-diphenylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 118462558
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 174277156
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
3-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037985
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline (CID 118349360) is 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline is c1ccc(-c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c6ccccc6n(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)c5c4)c3)cc2)cc1.
What is the InChIKey of 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
The InChIKey is SEBXEMCWMXPGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c1-5-21-47(22-6-1)56-31-13-14-32-57(56)48-39-42-54(43-40-48)68(53-28-11-4-12-29-53)55-30-19-23-49(45-55)50-41-44-59-58-33-16-18-37-63(58)69(65(59)46-50)64-38-20-36-62-66(64)60-34-15-17-35-61(60)67(62,51-24-7-2-8-25-51)52-26-9-3-10-27-52/h1-46H.
What are the key properties of 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline?
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline has a molecular weight of 879.12 g/mol, XLogP of 17.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 118349360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).