9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole

C48H33N3 — CID 146709956

IUPAC9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole
SMILESC1=CC(c2ccccc2-c2ccc3c4ccc5cc(-c6ccccc6-c6cccnc6)ccc5c4n(-c4ccc5ccccc5c4)c3c2)=CNC1
InChIInChI=1S/C48H33N3/c1-2-10-33-28-39(21-17-32(33)9-1)51-47-29-36(41-14-4-6-16-43(41)38-12-8-26-50-31-38)19-23-45(47)46-24-20-35-27-34(18-22-44(35)48(46)51)40-13-3-5-15-42(40)37-11-7-25-49-30-37/h1-25,27-31,50H,26H2
InChIKeyKZXPCSBUYYPZLU-UHFFFAOYSA-N
MW651.81 g/mol
LogP11.99
Rot. Bonds5

About 9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole

9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole (PubChem CID 146709956) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole.

Molecular Properties

Compound Name9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole
PubChem CID146709956
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole
SMILESC1=CC(c2ccccc2-c2ccc3c4ccc5cc(-c6ccccc6-c6cccnc6)ccc5c4n(-c4ccc5ccccc5c4)c3c2)=CNC1
InChIInChI=1S/C48H33N3/c1-2-10-33-28-39(21-17-32(33)9-1)51-47-29-36(41-14-4-6-16-43(41)38-12-8-26-50-31-38)19-23-45(47)46-24-20-35-27-34(18-22-44(35)48(46)51)40-13-3-5-15-42(40)37-11-7-25-49-30-37/h1-25,27-31,50H,26H2
InChIKeyKZXPCSBUYYPZLU-UHFFFAOYSA-N
XLogP11.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 511.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

11-phenyl-3-(3-pyridin-2-yl-1,2-dihydropyridin-5-yl)-9-(4-pyridin-3-ylphenyl)benzo[a]carbazole
CID 163989198
3-[3-[4-[4-[4-[3-(1,2-dihydropyridin-5-yl)phenyl]phenyl]-5-[4-(3-pyridin-3-ylphenyl)phenyl]-1,2,4-triazol-3-yl]phenyl]phenyl]pyridine
CID 144863983
7-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[3,4-b]indole
CID 129221374
3,9-bis[2-(5-methyl-3-pyridinyl)phenyl]-11-phenylbenzo[a]carbazole
CID 163520863
3-[5-(2-methyl-3-pyridinyl)-2-pyridinyl]-9-naphthalen-2-yl-11-phenylbenzo[a]carbazole
CID 147334824
12-(2,6-dipyridin-3-ylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145010007
12-[3-naphthalen-1-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155450678
3-[3-(5,5-diphenylbenzo[b][1]benzosilol-3-yl)carbazol-9-yl]-11-(3-pyridin-3-ylphenyl)benzo[a]carbazole
CID 156626531
9-(9-naphthalen-2-ylcarbazol-2-yl)-5-phenylpyrido[4,3-b]indole;5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[4,3-b]indole;5-phenyl-9-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[4,3-b]indole
CID 158801479
12-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 162703745
11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 167031915
11-[4-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzo[a]carbazole
CID 167032232

Frequently Asked Questions

What is the IUPAC name of 9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole?
The IUPAC name of 9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole (CID 146709956) is 9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole.
What is the SMILES notation for 9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole?
The canonical SMILES for 9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole is C1=CC(c2ccccc2-c2ccc3c4ccc5cc(-c6ccccc6-c6cccnc6)ccc5c4n(-c4ccc5ccccc5c4)c3c2)=CNC1.
What is the InChIKey of 9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole?
The InChIKey is KZXPCSBUYYPZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-2-10-33-28-39(21-17-32(33)9-1)51-47-29-36(41-14-4-6-16-43(41)38-12-8-26-50-31-38)19-23-45(47)46-24-20-35-27-34(18-22-44(35)48(46)51)40-13-3-5-15-42(40)37-11-7-25-49-30-37/h1-25,27-31,50H,26H2.
What are the key properties of 9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole?
9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole has a molecular weight of 651.81 g/mol, XLogP of 11.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1,2-dihydropyridin-5-yl)phenyl]-11-naphthalen-2-yl-3-(2-pyridin-3-ylphenyl)benzo[a]carbazole is sourced from PubChem (CID 146709956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).