4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline

C48H35N3 — CID 163457269

IUPAC4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
SMILESC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CCc2c1c1cc3c(cc1n2-c1ccccc1)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C48H35N3/c1-5-15-36(16-6-1)49(37-17-7-2-8-18-37)40-28-25-34(26-29-40)35-27-30-46-42(31-35)44-33-47-43(32-48(44)51(46)39-21-11-4-12-22-39)41-23-13-14-24-45(41)50(47)38-19-9-3-10-20-38/h1-26,28-29,31-33H,27,30H2
InChIKeyBLNXNFREVALQHJ-UHFFFAOYSA-N
MW653.83 g/mol
LogP12.68
Rot. Bonds6

About 4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline

4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline (PubChem CID 163457269) has the molecular formula C48H35N3 and a molecular weight of 653.83 g/mol. Its IUPAC name is 4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
PubChem CID163457269
Molecular FormulaC48H35N3
Molecular Weight653.83 g/mol
Exact Mass653.28
IUPAC Name4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline
SMILESC1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CCc2c1c1cc3c(cc1n2-c1ccccc1)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C48H35N3/c1-5-15-36(16-6-1)49(37-17-7-2-8-18-37)40-28-25-34(26-29-40)35-27-30-46-42(31-35)44-33-47-43(32-48(44)51(46)39-21-11-4-12-22-39)41-23-13-14-24-45(41)50(47)38-19-9-3-10-20-38/h1-26,28-29,31-33H,27,30H2
InChIKeyBLNXNFREVALQHJ-UHFFFAOYSA-N
XLogP12.68
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
N,9-diphenyl-N-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-7,8-dihydrocarbazol-3-amine
CID 88979154
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 158069422
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenyl-1,2-dihydrocarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 155073664
3,9-bis(4-methylphenyl)-1,2-dihydrocarbazole
CID 146386930
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557

Frequently Asked Questions

What is the IUPAC name of 4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline (CID 163457269) is 4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline is C1=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)CCc2c1c1cc3c(cc1n2-c1ccccc1)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline?
The InChIKey is BLNXNFREVALQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N3/c1-5-15-36(16-6-1)49(37-17-7-2-8-18-37)40-28-25-34(26-29-40)35-27-30-46-42(31-35)44-33-47-43(32-48(44)51(46)39-21-11-4-12-22-39)41-23-13-14-24-45(41)50(47)38-19-9-3-10-20-38/h1-26,28-29,31-33H,27,30H2.
What are the key properties of 4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline?
4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline has a molecular weight of 653.83 g/mol, XLogP of 12.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,11-diphenyl-9,10-dihydroindolo[3,2-b]carbazol-8-yl)-N,N-diphenylaniline is sourced from PubChem (CID 163457269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).