N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline

C54H39N3 — CID 166696096

IUPACN,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
SMILESC1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)Cc2c1n(-c1cccc(-c3ccccc3)c1)c1ccccc21
InChIInChI=1S/C54H39N3/c1-4-15-38(16-5-1)39-17-14-22-46(35-39)57-52-26-13-11-24-48(52)50-37-41(28-34-54(50)57)40-27-33-53-49(36-40)47-23-10-12-25-51(47)56(53)45-31-29-44(30-32-45)55(42-18-6-2-7-19-42)43-20-8-3-9-21-43/h1-36,41H,37H2
InChIKeyOPKLMQNUNJJVTC-UHFFFAOYSA-N
MW729.93 g/mol
LogP14.22
Rot. Bonds7

About N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline

N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline (PubChem CID 166696096) has the molecular formula C54H39N3 and a molecular weight of 729.93 g/mol. Its IUPAC name is N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
PubChem CID166696096
Molecular FormulaC54H39N3
Molecular Weight729.93 g/mol
Exact Mass729.31
IUPAC NameN,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
SMILESC1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)Cc2c1n(-c1cccc(-c3ccccc3)c1)c1ccccc21
InChIInChI=1S/C54H39N3/c1-4-15-38(16-5-1)39-17-14-22-46(35-39)57-52-26-13-11-24-48(52)50-37-41(28-34-54(50)57)40-27-33-53-49(36-40)47-23-10-12-25-51(47)56(53)45-31-29-44(30-32-45)55(42-18-6-2-7-19-42)43-20-8-3-9-21-43/h1-36,41H,37H2
InChIKeyOPKLMQNUNJJVTC-UHFFFAOYSA-N
XLogP14.22
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.93
LogP ≤ 514.22
H-Bond Donors ≤ 50
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
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
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 161304112
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158440650
9-phenyl-3-[9-[4-(3-phenylphenyl)-1,2-dihydroquinolin-2-yl]-3,4-dihydrocarbazol-3-yl]carbazole
CID 118535789
9,9-dimethyl-N-[4-(9-phenyl-3,4-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine
CID 138510419
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N,9-diphenylcarbazol-2-amine;N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-2-amine;N,N-diphenyl-9-[3-[3-[2-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]carbazol-2-amine
CID 158451269
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
9-[3-[6-[3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)phenyl]-1,8-diphenylphenanthren-3-yl]phenyl]-3,6-diphenylcarbazole
CID 89046059
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline (CID 166696096) is N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline is C1=CC(c2ccc3c(c2)c2ccccc2n3-c2ccc(N(c3ccccc3)c3ccccc3)cc2)Cc2c1n(-c1cccc(-c3ccccc3)c1)c1ccccc21.
What is the InChIKey of N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline?
The InChIKey is OPKLMQNUNJJVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3/c1-4-15-38(16-5-1)39-17-14-22-46(35-39)57-52-26-13-11-24-48(52)50-37-41(28-34-54(50)57)40-27-33-53-49(36-40)47-23-10-12-25-51(47)56(53)45-31-29-44(30-32-45)55(42-18-6-2-7-19-42)43-20-8-3-9-21-43/h1-36,41H,37H2.
What are the key properties of N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline?
N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline has a molecular weight of 729.93 g/mol, XLogP of 14.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline is sourced from PubChem (CID 166696096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).