2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole

C40H30N2 — CID 146221538

IUPAC2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole
SMILESC=Cc1cccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4C)cc(-c3ccc4c5ccccc5n(C)c4c3)c2)c1
InChIInChI=1S/C40H30N2/c1-4-26-10-9-11-27(20-26)30-21-31(28-17-19-39-36(24-28)34-13-6-8-15-38(34)41(39)2)23-32(22-30)29-16-18-35-33-12-5-7-14-37(33)42(3)40(35)25-29/h4-25H,1H2,2-3H3
InChIKeyCUXPOUSQTJNRDX-UHFFFAOYSA-N
MW538.69 g/mol
LogP10.62
Rot. Bonds4

About 2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole

2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole (PubChem CID 146221538) has the molecular formula C40H30N2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole.

Molecular Properties

Compound Name2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole
PubChem CID146221538
Molecular FormulaC40H30N2
Molecular Weight538.69 g/mol
Exact Mass538.24
IUPAC Name2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole
SMILESC=Cc1cccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4C)cc(-c3ccc4c5ccccc5n(C)c4c3)c2)c1
InChIInChI=1S/C40H30N2/c1-4-26-10-9-11-27(20-26)30-21-31(28-17-19-39-36(24-28)34-13-6-8-15-38(34)41(39)2)23-32(22-30)29-16-18-35-33-12-5-7-14-37(33)42(3)40(35)25-29/h4-25H,1H2,2-3H3
InChIKeyCUXPOUSQTJNRDX-UHFFFAOYSA-N
XLogP10.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 158517648
2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole
CID 146221459
2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene
CID 144919650
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 159041111
3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160
9-[9-(9-methylcarbazol-2-yl)carbazol-2-yl]-3,6-diphenylcarbazole
CID 118335035
2-isocyano-9-methyl-6-(3-phenylphenyl)carbazole
CID 140686487
9-methyl-2-[3-(9-methylcarbazol-3-yl)phenyl]carbazole;9-methyl-3-[2-(9-methylcarbazol-4-yl)phenyl]carbazole;9-methyl-3-[2-[2-(9-methylcarbazol-3-yl)phenyl]phenyl]carbazole;1-methyl-4-phenylbenzene;toluene
CID 157291813
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole?
The IUPAC name of 2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole (CID 146221538) is 2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole.
What is the SMILES notation for 2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole?
The canonical SMILES for 2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole is C=Cc1cccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4C)cc(-c3ccc4c5ccccc5n(C)c4c3)c2)c1.
What is the InChIKey of 2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole?
The InChIKey is CUXPOUSQTJNRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N2/c1-4-26-10-9-11-27(20-26)30-21-31(28-17-19-39-36(24-28)34-13-6-8-15-38(34)41(39)2)23-32(22-30)29-16-18-35-33-12-5-7-14-37(33)42(3)40(35)25-29/h4-25H,1H2,2-3H3.
What are the key properties of 2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole?
2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole has a molecular weight of 538.69 g/mol, XLogP of 10.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole is sourced from PubChem (CID 146221538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).