3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline

C51H40N2 — CID 90154768

IUPAC3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3-c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C51H40N2/c1-35-21-26-41(27-22-35)52(42-28-23-36(2)24-29-42)43-30-31-44(37(3)33-43)47-19-12-18-45(51(47)38-13-6-4-7-14-38)39-25-32-50-48(34-39)46-17-10-11-20-49(46)53(50)40-15-8-5-9-16-40/h4-34H,1-3H3
InChIKeyWIVQDUXDFWPIED-UHFFFAOYSA-N
MW680.90 g/mol
LogP14.18
Rot. Bonds7

About 3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline

3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 90154768) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is 3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID90154768
Molecular FormulaC51H40N2
Molecular Weight680.90 g/mol
Exact Mass680.32
IUPAC Name3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3-c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C51H40N2/c1-35-21-26-41(27-22-35)52(42-28-23-36(2)24-29-42)43-30-31-44(37(3)33-43)47-19-12-18-45(51(47)38-13-6-4-7-14-38)39-25-32-50-48(34-39)46-17-10-11-20-49(46)53(50)40-15-8-5-9-16-40/h4-34H,1-3H3
InChIKeyWIVQDUXDFWPIED-UHFFFAOYSA-N
XLogP14.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.90
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788475
N,N-bis(4-methylphenyl)-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;N,N-diphenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;4-[6-(6-methyl-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 159011512
4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline
CID 142724935
3-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789959
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine
CID 163999771
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
9-[4-[6-(4-carbazol-9-ylphenyl)-9,10-bis(2-phenylphenyl)anthracen-2-yl]phenyl]carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9,10-bis(2-phenylphenyl)anthracen-2-yl]aniline;3-methyl-4-[10-[2-methyl-4-(N-phenylanilino)phenyl]-2,6-dinaphthalen-1-ylanthracen-9-yl]-N,N-diphenylaniline
CID 157342291
N-(3-methylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)naphthalen-1-amine
CID 118282615
4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline
CID 90071614
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 90154768) is 3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3-c3ccccc3)c(C)c2)cc1.
What is the InChIKey of 3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is WIVQDUXDFWPIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2/c1-35-21-26-41(27-22-35)52(42-28-23-36(2)24-29-42)43-30-31-44(37(3)33-43)47-19-12-18-45(51(47)38-13-6-4-7-14-38)39-25-32-50-48(34-39)46-17-10-11-20-49(46)53(50)40-15-8-5-9-16-40/h4-34H,1-3H3.
What are the key properties of 3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline?
3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 680.90 g/mol, XLogP of 14.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-bis(4-methylphenyl)-4-[2-phenyl-3-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 90154768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).