3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

C47H33N3 — CID 118312822

IUPAC3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESC1=CC(c2ccccc2)NC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)=C1
InChIInChI=1S/C47H33N3/c1-3-12-32(13-4-1)33-22-26-37(27-23-33)49-43-19-9-7-16-38(43)40-30-35(24-28-45(40)49)36-25-29-46-41(31-36)39-17-8-10-20-44(39)50(46)47-21-11-18-42(48-47)34-14-5-2-6-15-34/h1-31,42,48H
InChIKeyWAPONYZYRGFLMX-UHFFFAOYSA-N
MW639.80 g/mol
LogP11.92
Rot. Bonds5

About 3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole

3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 118312822) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID118312822
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
SMILESC1=CC(c2ccccc2)NC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)=C1
InChIInChI=1S/C47H33N3/c1-3-12-32(13-4-1)33-22-26-37(27-23-33)49-43-19-9-7-16-38(43)40-30-35(24-28-45(40)49)36-25-29-46-41(31-36)39-17-8-10-20-44(39)50(46)47-21-11-18-42(48-47)34-14-5-2-6-15-34/h1-31,42,48H
InChIKeyWAPONYZYRGFLMX-UHFFFAOYSA-N
XLogP11.92
TPSA21.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 511.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
hydride;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 163952243
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
9-(4-phenylphenyl)-2-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 121285556
2-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 170072600
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole (CID 118312822) is 3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is C1=CC(c2ccccc2)NC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)ccc32)=C1.
What is the InChIKey of 3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is WAPONYZYRGFLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-3-12-32(13-4-1)33-22-26-37(27-23-33)49-43-19-9-7-16-38(43)40-30-35(24-28-45(40)49)36-25-29-46-41(31-36)39-17-8-10-20-44(39)50(46)47-21-11-18-42(48-47)34-14-5-2-6-15-34/h1-31,42,48H.
What are the key properties of 3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole?
3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 639.80 g/mol, XLogP of 11.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-phenyl-1,2-dihydropyridin-6-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 118312822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).