11-methyl-5,6-diphenylbenzo[a]carbazole

C29H21N — CID 102308000

IUPAC11-methyl-5,6-diphenylbenzo[a]carbazole
SMILESCn1c2ccccc2c2c(-c3ccccc3)c(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C29H21N/c1-30-25-19-11-10-18-24(25)28-27(21-14-6-3-7-15-21)26(20-12-4-2-5-13-20)22-16-8-9-17-23(22)29(28)30/h2-19H,1H3
InChIKeyQOQYXUVDFGSEEE-UHFFFAOYSA-N
MW383.49 g/mol
LogP7.82
Rot. Bonds2

About 11-methyl-5,6-diphenylbenzo[a]carbazole

11-methyl-5,6-diphenylbenzo[a]carbazole (PubChem CID 102308000) has the molecular formula C29H21N and a molecular weight of 383.49 g/mol. Its IUPAC name is 11-methyl-5,6-diphenylbenzo[a]carbazole.

Molecular Properties

Compound Name11-methyl-5,6-diphenylbenzo[a]carbazole
PubChem CID102308000
Molecular FormulaC29H21N
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC Name11-methyl-5,6-diphenylbenzo[a]carbazole
SMILESCn1c2ccccc2c2c(-c3ccccc3)c(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C29H21N/c1-30-25-19-11-10-18-24(25)28-27(21-14-6-3-7-15-21)26(20-12-4-2-5-13-20)22-16-8-9-17-23(22)29(28)30/h2-19H,1H3
InChIKeyQOQYXUVDFGSEEE-UHFFFAOYSA-N
XLogP7.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole
CID 71620291
9-methyl-18-[4-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501137
10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 12780582
5-iodo-6-(4-methoxyphenyl)-11-methylbenzo[a]carbazole
CID 56931368
9,9',10,10'-tetraphenyl-21,21'-spirobi[1,18-diaza-21-silahexacyclo[16.2.1.02,7.08,20.011,19.012,17]henicosa-2,4,6,8,10,12,14,16,19-nonaene]
CID 58249869
1-methyl-2,3-diphenylindole
CID 11426096
9-methyl-18-[3-(4-phenylphenyl)phenyl]-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 126501138
10-methyl-14,21-diphenyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 58131761
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
5,6,7,12-tetramethylindolo[3,2-c]carbazole
CID 134194406
2-iodo-1-methyl-3-phenylindole
CID 76846489
9-methyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),2(10),3,5,7,11,13,15,17,19,21,23-dodecaene
CID 158780062

Frequently Asked Questions

What is the IUPAC name of 11-methyl-5,6-diphenylbenzo[a]carbazole?
The IUPAC name of 11-methyl-5,6-diphenylbenzo[a]carbazole (CID 102308000) is 11-methyl-5,6-diphenylbenzo[a]carbazole.
What is the SMILES notation for 11-methyl-5,6-diphenylbenzo[a]carbazole?
The canonical SMILES for 11-methyl-5,6-diphenylbenzo[a]carbazole is Cn1c2ccccc2c2c(-c3ccccc3)c(-c3ccccc3)c3ccccc3c21.
What is the InChIKey of 11-methyl-5,6-diphenylbenzo[a]carbazole?
The InChIKey is QOQYXUVDFGSEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N/c1-30-25-19-11-10-18-24(25)28-27(21-14-6-3-7-15-21)26(20-12-4-2-5-13-20)22-16-8-9-17-23(22)29(28)30/h2-19H,1H3.
What are the key properties of 11-methyl-5,6-diphenylbenzo[a]carbazole?
11-methyl-5,6-diphenylbenzo[a]carbazole has a molecular weight of 383.49 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-5,6-diphenylbenzo[a]carbazole is sourced from PubChem (CID 102308000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).