1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine

C39H34N2 — CID 143982075

IUPAC1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine
SMILESCc1cc2c(c3ccc(N(c4ccccc4)c4ccccc4)cc3n2-c2ccccc2)c2c(C(C)(C)C)cccc12
InChIInChI=1S/C39H34N2/c1-27-25-36-38(37-32(27)21-14-22-34(37)39(2,3)4)33-24-23-31(26-35(33)41(36)30-19-12-7-13-20-30)40(28-15-8-5-9-16-28)29-17-10-6-11-18-29/h5-26H,1-4H3
InChIKeyNHYPNAMKVYLZJE-UHFFFAOYSA-N
MW530.72 g/mol
LogP11.01
Rot. Bonds4

About 1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine

1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine (PubChem CID 143982075) has the molecular formula C39H34N2 and a molecular weight of 530.72 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine
PubChem CID143982075
Molecular FormulaC39H34N2
Molecular Weight530.72 g/mol
Exact Mass530.27
IUPAC Name1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine
SMILESCc1cc2c(c3ccc(N(c4ccccc4)c4ccccc4)cc3n2-c2ccccc2)c2c(C(C)(C)C)cccc12
InChIInChI=1S/C39H34N2/c1-27-25-36-38(37-32(27)21-14-22-34(37)39(2,3)4)33-24-23-31(26-35(33)41(36)30-19-12-7-13-20-30)40(28-15-8-5-9-16-28)29-17-10-6-11-18-29/h5-26H,1-4H3
InChIKeyNHYPNAMKVYLZJE-UHFFFAOYSA-N
XLogP11.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.72
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
9-N,15-N-bis(2-methylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487432
N,N,5,9-tetraphenylcarbazol-2-amine
CID 155156029
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
4-N,9-N-bis(4-bromophenyl)-4-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7-phenylbenzo[g]carbazole-4,9-diamine
CID 129037843
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549065
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
CID 90050702
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine
CID 170286553

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine?
The IUPAC name of 1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine (CID 143982075) is 1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine.
What is the SMILES notation for 1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine?
The canonical SMILES for 1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine is Cc1cc2c(c3ccc(N(c4ccccc4)c4ccccc4)cc3n2-c2ccccc2)c2c(C(C)(C)C)cccc12.
What is the InChIKey of 1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine?
The InChIKey is NHYPNAMKVYLZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34N2/c1-27-25-36-38(37-32(27)21-14-22-34(37)39(2,3)4)33-24-23-31(26-35(33)41(36)30-19-12-7-13-20-30)40(28-15-8-5-9-16-28)29-17-10-6-11-18-29/h5-26H,1-4H3.
What are the key properties of 1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine?
1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine has a molecular weight of 530.72 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N,N,7-triphenylbenzo[g]carbazol-9-amine is sourced from PubChem (CID 143982075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).