2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline

C61H42N2 — CID 177116819

IUPAC2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H42N2/c1-4-18-43(19-5-1)44-32-37-49(38-33-44)62(50-39-35-47(36-40-50)61(46-20-6-2-7-21-46)56-28-14-10-25-52(56)53-26-11-15-29-57(53)61)58-30-16-12-24-51(58)45-34-41-60-55(42-45)54-27-13-17-31-59(54)63(60)48-22-8-3-9-23-48/h1-42H
InChIKeyGPJNVWQNLUFNDW-UHFFFAOYSA-N
MW803.02 g/mol
LogP15.95
Rot. Bonds8

About 2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline

2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 177116819) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID177116819
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC Name2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H42N2/c1-4-18-43(19-5-1)44-32-37-49(38-33-44)62(50-39-35-47(36-40-50)61(46-20-6-2-7-21-46)56-28-14-10-25-52(56)53-26-11-15-29-57(53)61)58-30-16-12-24-51(58)45-34-41-60-55(42-45)54-27-13-17-31-59(54)63(60)48-22-8-3-9-23-48/h1-42H
InChIKeyGPJNVWQNLUFNDW-UHFFFAOYSA-N
XLogP15.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 138667407
N,9,9-triphenyl-N-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 118640942
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 121381212
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118087630
N,9,9-triphenyl-N-[2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 118462520
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]aniline;N-[2-[3-(6,9-diphenylcarbazol-2-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine;2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline;N,9,9-triphenyl-N-[2-[3-[6-phenyl-9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 157435887
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
N-naphthalen-1-yl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264419

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 177116819) is 2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is GPJNVWQNLUFNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-4-18-43(19-5-1)44-32-37-49(38-33-44)62(50-39-35-47(36-40-50)61(46-20-6-2-7-21-46)56-28-14-10-25-52(56)53-26-11-15-29-57(53)61)58-30-16-12-24-51(58)45-34-41-60-55(42-45)54-27-13-17-31-59(54)63(60)48-22-8-3-9-23-48/h1-42H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 803.02 g/mol, XLogP of 15.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 177116819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).