N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C50H37N3 — CID 59501694

IUPACN-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCc1cc(C)cc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C50H37N3/c1-34-30-35(2)32-42(31-34)51(40-25-27-41(28-26-40)53-47-17-9-6-14-43(47)44-15-7-10-18-48(44)53)39-23-20-36(21-24-39)37-22-29-50-46(33-37)45-16-8-11-19-49(45)52(50)38-12-4-3-5-13-38/h3-33H,1-2H3
InChIKeyFJEQFKPNSKBAHL-UHFFFAOYSA-N
MW679.87 g/mol
LogP13.63
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 59501694) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID59501694
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC NameN-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCc1cc(C)cc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C50H37N3/c1-34-30-35(2)32-42(31-34)51(40-25-27-41(28-26-40)53-47-17-9-6-14-43(47)44-15-7-10-18-48(44)53)39-23-20-36(21-24-39)37-22-29-50-46(33-37)45-16-8-11-19-49(45)52(50)38-12-4-3-5-13-38/h3-33H,1-2H3
InChIKeyFJEQFKPNSKBAHL-UHFFFAOYSA-N
XLogP13.63
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbazol-9-ylphenyl)-N-[4-(3,5-dimethylphenyl)phenyl]-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3,5-dimethyl-N-phenylaniline;9-(3,5-dimethylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[3-[3-[3-(3,5-dimethylphenyl)phenyl]-5-phenylphenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160931432
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
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
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-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585271
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
6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 163787508
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 59501694) is N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is Cc1cc(C)cc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is FJEQFKPNSKBAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3/c1-34-30-35(2)32-42(31-34)51(40-25-27-41(28-26-40)53-47-17-9-6-14-43(47)44-15-7-10-18-48(44)53)39-23-20-36(21-24-39)37-22-29-50-46(33-37)45-16-8-11-19-49(45)52(50)38-12-4-3-5-13-38/h3-33H,1-2H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 679.87 g/mol, XLogP of 13.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-3,5-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 59501694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).