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

C67H46N2 — CID 118349359

IUPAC3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccc6c7ccccc7n(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)c6c5)c4)cc3)c2)cc1
InChIInChI=1S/C67H46N2/c1-5-20-47(21-6-1)49-22-17-23-50(44-49)48-38-41-56(42-39-48)68(55-29-11-4-12-30-55)57-31-18-24-51(45-57)52-40-43-59-58-32-14-16-36-63(58)69(65(59)46-52)64-37-19-35-62-66(64)60-33-13-15-34-61(60)67(62,53-25-7-2-8-26-53)54-27-9-3-10-28-54/h1-46H
InChIKeyILIIVXJFPHBDIP-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-(3-phenylphenyl)phenyl]aniline

3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 118349359) 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-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID118349359
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-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccc6c7ccccc7n(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)c6c5)c4)cc3)c2)cc1
InChIInChI=1S/C67H46N2/c1-5-20-47(21-6-1)49-22-17-23-50(44-49)48-38-41-56(42-39-48)68(55-29-11-4-12-30-55)57-31-18-24-51(45-57)52-40-43-59-58-32-14-16-36-63(58)69(65(59)46-52)64-37-19-35-62-66(64)60-33-13-15-34-61(60)67(62,53-25-7-2-8-26-53)54-27-9-3-10-28-54/h1-46H
InChIKeyILIIVXJFPHBDIP-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-(2-phenylphenyl)phenyl]aniline
CID 118349360
2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118265642
N-[4-[2-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118337172
N-[2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 118265653
N-[4-[3-[9-(9,9-diphenylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 118462558
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
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 167322443
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
N-[4-[3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]phenyl]-N-phenyldibenzothiophen-2-amine;N-[4-[3-[9-(9,9-diphenylfluoren-1-yl)carbazol-2-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 158839434

Frequently Asked Questions

What is the IUPAC name of 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 118349359) is 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4cccc(-c5ccc6c7ccccc7n(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)c6c5)c4)cc3)c2)cc1.
What is the InChIKey of 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is ILIIVXJFPHBDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c1-5-20-47(21-6-1)49-22-17-23-50(44-49)48-38-41-56(42-39-48)68(55-29-11-4-12-30-55)57-31-18-24-51(45-57)52-40-43-59-58-32-14-16-36-63(58)69(65(59)46-52)64-37-19-35-62-66(64)60-33-13-15-34-61(60)67(62,53-25-7-2-8-26-53)54-27-9-3-10-28-54/h1-46H.
What are the key properties of 3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-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-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 118349359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).