5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole

C40H28N2 — CID 163788031

IUPAC5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
SMILESCn1c2ccccc2c2c(-c3cccc4ccccc34)c3c(c(-c4cccc5ccccc45)c21)c1ccccc1n3C
InChIInChI=1S/C40H28N2/c1-41-33-23-9-7-19-31(33)37-36(30-22-12-16-26-14-4-6-18-28(26)30)40-38(32-20-8-10-24-34(32)42(40)2)35(39(37)41)29-21-11-15-25-13-3-5-17-27(25)29/h3-24H,1-2H3
InChIKeyMUGARMIXMPQOCZ-UHFFFAOYSA-N
MW536.68 g/mol
LogP10.62
Rot. Bonds2

About 5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole

5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole (PubChem CID 163788031) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
PubChem CID163788031
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
SMILESCn1c2ccccc2c2c(-c3cccc4ccccc34)c3c(c(-c4cccc5ccccc45)c21)c1ccccc1n3C
InChIInChI=1S/C40H28N2/c1-41-33-23-9-7-19-31(33)37-36(30-22-12-16-26-14-4-6-18-28(26)30)40-38(32-20-8-10-24-34(32)42(40)2)35(39(37)41)29-21-11-15-25-13-3-5-17-27(25)29/h3-24H,1-2H3
InChIKeyMUGARMIXMPQOCZ-UHFFFAOYSA-N
XLogP10.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[12-(2-hydroxynaphthalen-1-yl)-5,11-dimethylindolo[3,2-b]carbazol-6-yl]naphthalen-2-ol
CID 170680295
5-methyl-10-[5-(10-methylphenazin-5-yl)-9,10-dinaphthalen-1-ylanthracen-1-yl]phenazine
CID 59220458
5,6,11,12-tetramethylindolo[3,2-b]carbazole
CID 134194403
4-[12-[4-[bis(prop-2-ynyl)amino]phenyl]-5,11-dimethylindolo[3,2-b]carbazol-6-yl]-N,N-bis(prop-2-ynyl)aniline
CID 170680306
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
11-methyl-5,6-diphenylbenzo[a]carbazole
CID 102308000
9-methyl-4-(1-methylindol-2-yl)carbazole
CID 13159227
3,11-dimethyl-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene
CID 132577078
10,22-dinaphthalen-1-yl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(25),3,5,7,9,11,13(26),15,17,19,21,23-dodecaene
CID 168856526
3,24-dimethyl-6-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182128
3,24-dimethyl-6-naphthalen-1-yl-21-(4-naphthalen-2-ylphenyl)-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181664
1,9,10-trinaphthalen-1-ylanthracene
CID 58322859

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole?
The IUPAC name of 5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole (CID 163788031) is 5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole.
What is the SMILES notation for 5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole?
The canonical SMILES for 5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole is Cn1c2ccccc2c2c(-c3cccc4ccccc34)c3c(c(-c4cccc5ccccc45)c21)c1ccccc1n3C.
What is the InChIKey of 5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole?
The InChIKey is MUGARMIXMPQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-41-33-23-9-7-19-31(33)37-36(30-22-12-16-26-14-4-6-18-28(26)30)40-38(32-20-8-10-24-34(32)42(40)2)35(39(37)41)29-21-11-15-25-13-3-5-17-27(25)29/h3-24H,1-2H3.
What are the key properties of 5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole?
5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole has a molecular weight of 536.68 g/mol, XLogP of 10.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole is sourced from PubChem (CID 163788031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).