3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene

C47H37N — CID 145064060

IUPAC3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1ccc(-c2ccc3c(ccc4c3c3ccccc3n4-c3ccc4ccccc4c3)c2)cc1C
InChIInChI=1S/C40H29N.C7H8/c1-26-9-3-6-12-34(26)35-20-16-30(23-27(35)2)31-17-21-36-32(24-31)18-22-39-40(36)37-13-7-8-14-38(37)41(39)33-19-15-28-10-4-5-11-29(28)25-33;1-7-5-3-2-4-6-7/h3-25H,1-2H3;2-6H,1H3
InChIKeyWGTSVJCWBZYHFV-UHFFFAOYSA-N
MW615.82 g/mol
LogP13.04
Rot. Bonds3

About 3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene

3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene (PubChem CID 145064060) has the molecular formula C47H37N and a molecular weight of 615.82 g/mol. Its IUPAC name is 3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene.

Molecular Properties

Compound Name3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene
PubChem CID145064060
Molecular FormulaC47H37N
Molecular Weight615.82 g/mol
Exact Mass615.29
IUPAC Name3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1ccc(-c2ccc3c(ccc4c3c3ccccc3n4-c3ccc4ccccc4c3)c2)cc1C
InChIInChI=1S/C40H29N.C7H8/c1-26-9-3-6-12-34(26)35-20-16-30(23-27(35)2)31-17-21-36-32(24-31)18-22-39-40(36)37-13-7-8-14-38(37)41(39)33-19-15-28-10-4-5-11-29(28)25-33;1-7-5-3-2-4-6-7/h3-25H,1-2H3;2-6H,1H3
InChIKeyWGTSVJCWBZYHFV-UHFFFAOYSA-N
XLogP13.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.82
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole
CID 145064061
3-[9-(2-methyl-4-phenylphenyl)carbazol-3-yl]-7-naphthalen-2-ylbenzo[c]carbazole
CID 130351529
7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
CID 130351506
7-naphthalen-2-yl-2-(7-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351413
3-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351343
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
4,9,14-trinaphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170928009
7-phenyl-3-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 130351055
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
16-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-yl-20-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 138654043
9-[3-(2-methylphenyl)phenyl]-7-phenylbenzo[c]carbazole
CID 90175676

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene?
The IUPAC name of 3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene (CID 145064060) is 3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene.
What is the SMILES notation for 3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene?
The canonical SMILES for 3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene is Cc1ccccc1.Cc1ccccc1-c1ccc(-c2ccc3c(ccc4c3c3ccccc3n4-c3ccc4ccccc4c3)c2)cc1C.
What is the InChIKey of 3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene?
The InChIKey is WGTSVJCWBZYHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29N.C7H8/c1-26-9-3-6-12-34(26)35-20-16-30(23-27(35)2)31-17-21-36-32(24-31)18-22-39-40(36)37-13-7-8-14-38(37)41(39)33-19-15-28-10-4-5-11-29(28)25-33;1-7-5-3-2-4-6-7/h3-25H,1-2H3;2-6H,1H3.
What are the key properties of 3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene?
3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene has a molecular weight of 615.82 g/mol, XLogP of 13.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole;toluene is sourced from PubChem (CID 145064060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).