N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline

C45H36N2 — CID 118033701

IUPACN-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)cc1-c1ccc(Nc2ccccc2-c2ccccc2C)cc1
InChIInChI=1S/C45H36N2/c1-30-12-4-5-13-37(30)38-14-6-9-17-43(38)46-35-24-20-33(21-25-35)41-28-32(3)42(29-31(41)2)34-22-26-36(27-23-34)47-44-18-10-7-15-39(44)40-16-8-11-19-45(40)47/h4-29,46H,1-3H3
InChIKeyMQMAPUGSEYHFNP-UHFFFAOYSA-N
MW604.80 g/mol
LogP12.45
Rot. Bonds6

About N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline

N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline (PubChem CID 118033701) has the molecular formula C45H36N2 and a molecular weight of 604.80 g/mol. Its IUPAC name is N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline
PubChem CID118033701
Molecular FormulaC45H36N2
Molecular Weight604.80 g/mol
Exact Mass604.29
IUPAC NameN-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline
SMILESCc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)cc1-c1ccc(Nc2ccccc2-c2ccccc2C)cc1
InChIInChI=1S/C45H36N2/c1-30-12-4-5-13-37(30)38-14-6-9-17-43(38)46-35-24-20-33(21-25-35)41-28-32(3)42(29-31(41)2)34-22-26-36(27-23-34)47-44-18-10-7-15-39(44)40-16-8-11-19-45(40)47/h4-29,46H,1-3H3
InChIKeyMQMAPUGSEYHFNP-UHFFFAOYSA-N
XLogP12.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 512.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-2-(2-propylphenyl)aniline
CID 166895085
9-(4-methylphenyl)-N,3-diphenylcarbazol-2-amine
CID 129125677
N-[4-[4-[4-[[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]methyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-2-(2-methylphenyl)aniline
CID 143310257
N-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 134380568
2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373
4-carbazol-9-yl-N,2-diphenylaniline
CID 121360313
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 163631547
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 71249287
2-methyl-N-[4-(2-methylphenyl)phenyl]aniline
CID 144650096

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline?
The IUPAC name of N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline (CID 118033701) is N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline?
The canonical SMILES for N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline is Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c(C)cc1-c1ccc(Nc2ccccc2-c2ccccc2C)cc1.
What is the InChIKey of N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline?
The InChIKey is MQMAPUGSEYHFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2/c1-30-12-4-5-13-37(30)38-14-6-9-17-43(38)46-35-24-20-33(21-25-35)41-28-32(3)42(29-31(41)2)34-22-26-36(27-23-34)47-44-18-10-7-15-39(44)40-16-8-11-19-45(40)47/h4-29,46H,1-3H3.
What are the key properties of N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline?
N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline has a molecular weight of 604.80 g/mol, XLogP of 12.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline is sourced from PubChem (CID 118033701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).