2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole

C31H25N — CID 71620291

IUPAC2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)c3c4ccccc4n(C)c3c2cc1C
InChIInChI=1S/C31H25N/c1-20-18-25-26(19-21(20)2)31-30(24-16-10-11-17-27(24)32(31)3)29(23-14-8-5-9-15-23)28(25)22-12-6-4-7-13-22/h4-19H,1-3H3
InChIKeyWIGXCCCDPNVVJC-UHFFFAOYSA-N
MW411.55 g/mol
LogP8.44
Rot. Bonds2

About 2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole

2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole (PubChem CID 71620291) has the molecular formula C31H25N and a molecular weight of 411.55 g/mol. Its IUPAC name is 2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole.

Molecular Properties

Compound Name2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole
PubChem CID71620291
Molecular FormulaC31H25N
Molecular Weight411.55 g/mol
Exact Mass411.20
IUPAC Name2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole
SMILESCc1cc2c(-c3ccccc3)c(-c3ccccc3)c3c4ccccc4n(C)c3c2cc1C
InChIInChI=1S/C31H25N/c1-20-18-25-26(19-21(20)2)31-30(24-16-10-11-17-27(24)32(31)3)29(23-14-8-5-9-15-23)28(25)22-12-6-4-7-13-22/h4-19H,1-3H3
InChIKeyWIGXCCCDPNVVJC-UHFFFAOYSA-N
XLogP8.44
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-methyl-5,6-diphenylbenzo[a]carbazole
CID 102308000
5,11-dimethylbenzo[a]carbazole
CID 58410472
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
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
3-bromo-9-methyl-1-phenylcarbazole
CID 163978130
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
14-methyl-12-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176615448
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
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

Frequently Asked Questions

What is the IUPAC name of 2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole?
The IUPAC name of 2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole (CID 71620291) is 2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole.
What is the SMILES notation for 2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole?
The canonical SMILES for 2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole is Cc1cc2c(-c3ccccc3)c(-c3ccccc3)c3c4ccccc4n(C)c3c2cc1C.
What is the InChIKey of 2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole?
The InChIKey is WIGXCCCDPNVVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N/c1-20-18-25-26(19-21(20)2)31-30(24-16-10-11-17-27(24)32(31)3)29(23-14-8-5-9-15-23)28(25)22-12-6-4-7-13-22/h4-19H,1-3H3.
What are the key properties of 2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole?
2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole has a molecular weight of 411.55 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,11-trimethyl-5,6-diphenylbenzo[a]carbazole is sourced from PubChem (CID 71620291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).