5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine

C61H42N2 — CID 169009697

IUPAC5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H42N2/c1-5-19-43(20-6-1)44-35-37-49(38-36-44)62(50-28-17-25-47(41-50)61(46-23-9-3-10-24-46)56-32-15-13-29-53(56)54-30-14-16-33-57(54)61)51-39-40-58-55(42-51)60-52(45-21-7-2-8-22-45)31-18-34-59(60)63(58)48-26-11-4-12-27-48/h1-42H
InChIKeyDFIOFVLKLOOLDQ-UHFFFAOYSA-N
MW803.02 g/mol
LogP15.95
Rot. Bonds8

About 5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine

5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 169009697) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID169009697
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC Name5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C61H42N2/c1-5-19-43(20-6-1)44-35-37-49(38-36-44)62(50-28-17-25-47(41-50)61(46-23-9-3-10-24-46)56-32-15-13-29-53(56)54-30-14-16-33-57(54)61)51-39-40-58-55(42-51)60-52(45-21-7-2-8-22-45)31-18-34-59(60)63(58)48-26-11-4-12-27-48/h1-42H
InChIKeyDFIOFVLKLOOLDQ-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-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
5,9-diphenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 169009579
5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
9-phenyl-7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334078
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 169010409
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
N,3-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)carbazol-9-yl]phenyl]aniline
CID 167214673
3-carbazol-9-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 160587851
N-(4-carbazol-9-ylphenyl)-N-phenyl-3-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 169292999

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine (CID 169009697) is 5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3ccc4c(c3)c3c(-c5ccccc5)cccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is DFIOFVLKLOOLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-5-19-43(20-6-1)44-35-37-49(38-36-44)62(50-28-17-25-47(41-50)61(46-23-9-3-10-24-46)56-32-15-13-29-53(56)54-30-14-16-33-57(54)61)51-39-40-58-55(42-51)60-52(45-21-7-2-8-22-45)31-18-34-59(60)63(58)48-26-11-4-12-27-48/h1-42H.
What are the key properties of 5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine?
5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine 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 5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 169009697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).