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

C67H46N2 — CID 129164897

IUPAC3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C67H46N2/c68-62-41-40-55(48-33-29-47(30-34-48)50-38-42-64-59(43-50)58-26-14-16-28-63(58)69(64)54-23-11-4-12-24-54)65(66(62)49-35-31-46(32-36-49)45-17-5-1-6-18-45)51-37-39-57-56-25-13-15-27-60(56)67(61(57)44-51,52-19-7-2-8-20-52)53-21-9-3-10-22-53/h1-44H,68H2
InChIKeyHWOCCTOCWRZHIC-UHFFFAOYSA-N
MW879.12 g/mol
LogP17.06
Rot. Bonds8

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

3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline (PubChem CID 129164897) has the molecular formula C67H46N2 and a molecular weight of 879.12 g/mol. Its IUPAC name is 3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
PubChem CID129164897
Molecular FormulaC67H46N2
Molecular Weight879.12 g/mol
Exact Mass878.37
IUPAC Name3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESNc1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C67H46N2/c68-62-41-40-55(48-33-29-47(30-34-48)50-38-42-64-59(43-50)58-26-14-16-28-63(58)69(64)54-23-11-4-12-24-54)65(66(62)49-35-31-46(32-36-49)45-17-5-1-6-18-45)51-37-39-57-56-25-13-15-27-60(56)67(61(57)44-51,52-19-7-2-8-20-52)53-21-9-3-10-22-53/h1-44H,68H2
InChIKeyHWOCCTOCWRZHIC-UHFFFAOYSA-N
XLogP17.06
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 517.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-bis(9,9-diphenylfluoren-2-yl)-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole
CID 59306967
3,6-bis[4-[3,6-bis(9,9-diphenylfluoren-2-yl)carbazol-9-yl]phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306581
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
The IUPAC name of 3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline (CID 129164897) is 3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
The canonical SMILES for 3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline is Nc1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
The InChIKey is HWOCCTOCWRZHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c68-62-41-40-55(48-33-29-47(30-34-48)50-38-42-64-59(43-50)58-26-14-16-28-63(58)69(64)54-23-11-4-12-24-54)65(66(62)49-35-31-46(32-36-49)45-17-5-1-6-18-45)51-37-39-57-56-25-13-15-27-60(56)67(61(57)44-51,52-19-7-2-8-20-52)53-21-9-3-10-22-53/h1-44H,68H2.
What are the key properties of 3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline has a molecular weight of 879.12 g/mol, XLogP of 17.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-diphenylfluoren-2-yl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 129164897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).