6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene

C42H42N2 — CID 142539039

IUPAC6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene
SMILESCc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2C(C)C.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C28H26N2.2C7H8/c1-20(2)29-27-16-14-21(3)18-25(27)26-19-24(15-17-28(26)29)30(22-10-6-4-7-11-22)23-12-8-5-9-13-23;2*1-7-5-3-2-4-6-7/h4-20H,1-3H3;2*2-6H,1H3
InChIKeyNLVIMSJXQJUZIC-UHFFFAOYSA-N
MW574.81 g/mol
LogP12.14
Rot. Bonds4

About 6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene

6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene (PubChem CID 142539039) has the molecular formula C42H42N2 and a molecular weight of 574.81 g/mol. Its IUPAC name is 6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene.

Molecular Properties

Compound Name6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene
PubChem CID142539039
Molecular FormulaC42H42N2
Molecular Weight574.81 g/mol
Exact Mass574.33
IUPAC Name6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene
SMILESCc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2C(C)C.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C28H26N2.2C7H8/c1-20(2)29-27-16-14-21(3)18-25(27)26-19-24(15-17-28(26)29)30(22-10-6-4-7-11-22)23-12-8-5-9-13-23;2*1-7-5-3-2-4-6-7/h4-20H,1-3H3;2*2-6H,1H3
InChIKeyNLVIMSJXQJUZIC-UHFFFAOYSA-N
XLogP12.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.81
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21349180
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
CID 58501357
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene?
The IUPAC name of 6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene (CID 142539039) is 6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene.
What is the SMILES notation for 6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene?
The canonical SMILES for 6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene is Cc1ccc2c(c1)c1cc(N(c3ccccc3)c3ccccc3)ccc1n2C(C)C.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of 6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene?
The InChIKey is NLVIMSJXQJUZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2.2C7H8/c1-20(2)29-27-16-14-21(3)18-25(27)26-19-24(15-17-28(26)29)30(22-10-6-4-7-11-22)23-12-8-5-9-13-23;2*1-7-5-3-2-4-6-7/h4-20H,1-3H3;2*2-6H,1H3.
What are the key properties of 6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene?
6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene has a molecular weight of 574.81 g/mol, XLogP of 12.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene is sourced from PubChem (CID 142539039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).