9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole

C51H37N3 — CID 118535789

IUPAC9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole
SMILESC1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)Cc2c1n(C1C=C(c3cccc(-c4ccccc4)c3)c3ccccc3N1)c1ccccc21
InChIInChI=1S/C51H37N3/c1-3-14-34(15-4-1)35-16-13-17-38(30-35)43-33-51(52-46-23-10-7-20-40(43)46)54-48-25-12-9-22-42(48)45-32-37(27-29-50(45)54)36-26-28-49-44(31-36)41-21-8-11-24-47(41)53(49)39-18-5-2-6-19-39/h1-31,33,37,51-52H,32H2
InChIKeyLMDIGUCZDPXQST-UHFFFAOYSA-N
MW691.88 g/mol
LogP12.81
Rot. Bonds5

About 9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole

9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole (PubChem CID 118535789) has the molecular formula C51H37N3 and a molecular weight of 691.88 g/mol. Its IUPAC name is 9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole
PubChem CID118535789
Molecular FormulaC51H37N3
Molecular Weight691.88 g/mol
Exact Mass691.30
IUPAC Name9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole
SMILESC1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)Cc2c1n(C1C=C(c3cccc(-c4ccccc4)c3)c3ccccc3N1)c1ccccc21
InChIInChI=1S/C51H37N3/c1-3-14-34(15-4-1)35-16-13-17-38(30-35)43-33-51(52-46-23-10-7-20-40(43)46)54-48-25-12-9-22-42(48)45-32-37(27-29-50(45)54)36-26-28-49-44(31-36)41-21-8-11-24-47(41)53(49)39-18-5-2-6-19-39/h1-31,33,37,51-52H,32H2
InChIKeyLMDIGUCZDPXQST-UHFFFAOYSA-N
XLogP12.81
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.88
LogP ≤ 512.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-[3,5-bis(3-fluorophenyl)phenyl]-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163674925
N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
CID 166696096
5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),6,11,13,15,17,19,21-decaene
CID 134301201
2-(4-methylphenyl)-5-[4-[3-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 71086025
16-methyl-21-[3-[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-3,4-dihydrocarbazol-9-yl]-3-phenyl-10,12-diazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,13,17,19(23),20-nonaene
CID 163642587
9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole
CID 145085569
9-[3-[6-[3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)phenyl]-1,8-diphenylphenanthren-3-yl]phenyl]-3,6-diphenylcarbazole
CID 89046059
4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile
CID 135233863
9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole
CID 145327325
9-[4-[3-(9-thiapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole
CID 129272471
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole?
The IUPAC name of 9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole (CID 118535789) is 9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole is C1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)Cc2c1n(C1C=C(c3cccc(-c4ccccc4)c3)c3ccccc3N1)c1ccccc21.
What is the InChIKey of 9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole?
The InChIKey is LMDIGUCZDPXQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3/c1-3-14-34(15-4-1)35-16-13-17-38(30-35)43-33-51(52-46-23-10-7-20-40(43)46)54-48-25-12-9-22-42(48)45-32-37(27-29-50(45)54)36-26-28-49-44(31-36)41-21-8-11-24-47(41)53(49)39-18-5-2-6-19-39/h1-31,33,37,51-52H,32H2.
What are the key properties of 9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole?
9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole has a molecular weight of 691.88 g/mol, XLogP of 12.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole is sourced from PubChem (CID 118535789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).