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

C47H33N3 — CID 144956882

IUPAC3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole
SMILESC1=C(c2ccc(-c3ccccc3)cc2)NCC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)=C1
InChIInChI=1S/C47H33N3/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)43-26-25-38(31-48-43)50-45-18-10-8-16-40(45)42-30-36(24-28-47(42)50)35-23-27-46-41(29-35)39-15-7-9-17-44(39)49(46)37-13-5-2-6-14-37/h1-30,48H,31H2
InChIKeyMFWXEYAPSNHMMB-UHFFFAOYSA-N
MW639.80 g/mol
LogP11.71
Rot. Bonds5

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

3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole (PubChem CID 144956882) has the molecular formula C47H33N3 and a molecular weight of 639.80 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole
PubChem CID144956882
Molecular FormulaC47H33N3
Molecular Weight639.80 g/mol
Exact Mass639.27
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole
SMILESC1=C(c2ccc(-c3ccccc3)cc2)NCC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)=C1
InChIInChI=1S/C47H33N3/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)43-26-25-38(31-48-43)50-45-18-10-8-16-40(45)42-30-36(24-28-47(42)50)35-23-27-46-41(29-35)39-15-7-9-17-44(39)49(46)37-13-5-2-6-14-37/h1-30,48H,31H2
InChIKeyMFWXEYAPSNHMMB-UHFFFAOYSA-N
XLogP11.71
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 ≤ 511.71
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-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-6-(4-phenylphenyl)carbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165019259
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
3,9-diphenyl-6-[3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;3,9-diphenyl-6-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161263241
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
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole (CID 144956882) is 3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole is C1=C(c2ccc(-c3ccccc3)cc2)NCC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)=C1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole?
The InChIKey is MFWXEYAPSNHMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)43-26-25-38(31-48-43)50-45-18-10-8-16-40(45)42-30-36(24-28-47(42)50)35-23-27-46-41(29-35)39-15-7-9-17-44(39)49(46)37-13-5-2-6-14-37/h1-30,48H,31H2.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole?
3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole has a molecular weight of 639.80 g/mol, XLogP of 11.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-9-[6-(4-phenylphenyl)-1,2-dihydropyridin-3-yl]carbazole is sourced from PubChem (CID 144956882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).