2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole

C38H28N2 — CID 139422342

IUPAC2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole
SMILESC=C(c1ccccc1)c1ccccc1-c1cc2c3ccc(-c4ccccc4)cc3n(-c3ccccn3)c2cc1C
InChIInChI=1S/C38H28N2/c1-26-23-36-35(25-34(26)32-18-10-9-17-31(32)27(2)28-13-5-3-6-14-28)33-21-20-30(29-15-7-4-8-16-29)24-37(33)40(36)38-19-11-12-22-39-38/h3-25H,2H2,1H3
InChIKeyHPFLRJYWFOYXQV-UHFFFAOYSA-N
MW512.66 g/mol
LogP9.88
Rot. Bonds5

About 2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole

2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole (PubChem CID 139422342) has the molecular formula C38H28N2 and a molecular weight of 512.66 g/mol. Its IUPAC name is 2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole
PubChem CID139422342
Molecular FormulaC38H28N2
Molecular Weight512.66 g/mol
Exact Mass512.23
IUPAC Name2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole
SMILESC=C(c1ccccc1)c1ccccc1-c1cc2c3ccc(-c4ccccc4)cc3n(-c3ccccn3)c2cc1C
InChIInChI=1S/C38H28N2/c1-26-23-36-35(25-34(26)32-18-10-9-17-31(32)27(2)28-13-5-3-6-14-28)33-21-20-30(29-15-7-4-8-16-29)24-37(33)40(36)38-19-11-12-22-39-38/h3-25H,2H2,1H3
InChIKeyHPFLRJYWFOYXQV-UHFFFAOYSA-N
XLogP9.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.66
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene
CID 162483755
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
9-[3-(2-methylphenyl)phenyl]-7-pyridin-2-ylbenzo[c]carbazole
CID 90175626
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
formonitrile;2-(1-methylimidazol-2-yl)-9-pyridin-2-ylcarbazole;platinum(2+)
CID 71478924
9-phenyl-2-pyridin-2-yl-6-[3-[2-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 140814524
3-(9-iodocarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 135198280
9-[4-methyl-3-[2-methyl-5-(2-phenylcarbazol-9-yl)phenyl]phenyl]-2-phenylcarbazole
CID 70879569
9-(1-methylimidazol-2-yl)-2-[2-[4-phenyl-2,6-di(propan-2-yl)phenyl]-3-pyridin-2-ylbenzimidazol-5-yl]carbazole
CID 140889806
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3-dipyridin-2-ylbenzimidazol-2-one
CID 172507154

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole (CID 139422342) is 2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole is C=C(c1ccccc1)c1ccccc1-c1cc2c3ccc(-c4ccccc4)cc3n(-c3ccccn3)c2cc1C.
What is the InChIKey of 2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole?
The InChIKey is HPFLRJYWFOYXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2/c1-26-23-36-35(25-34(26)32-18-10-9-17-31(32)27(2)28-13-5-3-6-14-28)33-21-20-30(29-15-7-4-8-16-29)24-37(33)40(36)38-19-11-12-22-39-38/h3-25H,2H2,1H3.
What are the key properties of 2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole?
2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole has a molecular weight of 512.66 g/mol, XLogP of 9.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 139422342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).