2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline

C59H40N2 — CID 118349404

IUPAC2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2ccc3c4ccc5ccccc5c4n(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)cc1
InChIInChI=1S/C59H40N2/c1-5-20-43(21-6-1)59(44-22-7-2-8-23-44)54-31-17-15-30-50(54)53-40-47(35-38-55(53)59)61-57-39-42(34-36-51(57)52-37-33-41-19-13-14-29-49(41)58(52)61)48-28-16-18-32-56(48)60(45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-40H
InChIKeyMTENBTJMCNBUAO-UHFFFAOYSA-N
MW776.98 g/mol
LogP15.44
Rot. Bonds7

About 2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline

2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline (PubChem CID 118349404) has the molecular formula C59H40N2 and a molecular weight of 776.98 g/mol. Its IUPAC name is 2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline
PubChem CID118349404
Molecular FormulaC59H40N2
Molecular Weight776.98 g/mol
Exact Mass776.32
IUPAC Name2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2ccc3c4ccc5ccccc5c4n(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)cc1
InChIInChI=1S/C59H40N2/c1-5-20-43(21-6-1)59(44-22-7-2-8-23-44)54-31-17-15-30-50(54)53-40-47(35-38-55(53)59)61-57-39-42(34-36-51(57)52-37-33-41-19-13-14-29-49(41)58(52)61)48-28-16-18-32-56(48)60(45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-40H
InChIKeyMTENBTJMCNBUAO-UHFFFAOYSA-N
XLogP15.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.98
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline 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

2-[7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline;2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]-N,N-diphenylaniline;2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-diphenylaniline
CID 159485545
2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118265716
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673
2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]-N,N-bis(3-phenylphenyl)aniline;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161069792
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 168782198
9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]fluoren-3-amine
CID 168781573
N,9,9-triphenyl-N-[2-[3-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-3-amine
CID 118505787
2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N,N-diphenylaniline;2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(3-phenylphenyl)aniline;2-[4-[9-(9,9-diphenylfluoren-3-yl)carbazol-2-yl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline;2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;N-[2-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]phenyl]-N,3,4-triphenylaniline
CID 161329368
N-(3,5-diphenylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-4-amine
CID 168781545
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]fluoren-2-amine
CID 168782174
N-naphthalen-1-yl-11-(3-phenylphenyl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]benzo[a]carbazol-9-amine
CID 166503702
3-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]-N,N-diphenylaniline
CID 118349428

Frequently Asked Questions

What is the IUPAC name of 2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline?
The IUPAC name of 2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline (CID 118349404) is 2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline.
What is the SMILES notation for 2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline?
The canonical SMILES for 2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccccc2-c2ccc3c4ccc5ccccc5c4n(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline?
The InChIKey is MTENBTJMCNBUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2/c1-5-20-43(21-6-1)59(44-22-7-2-8-23-44)54-31-17-15-30-50(54)53-40-47(35-38-55(53)59)61-57-39-42(34-36-51(57)52-37-33-41-19-13-14-29-49(41)58(52)61)48-28-16-18-32-56(48)60(45-24-9-3-10-25-45)46-26-11-4-12-27-46/h1-40H.
What are the key properties of 2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline?
2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline has a molecular weight of 776.98 g/mol, XLogP of 15.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 118349404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).