11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole

C53H37N5 — CID 123821355

IUPAC11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole
SMILESC1=Cc2c(c3cc4c(cc3n2C2=CC(n3c5ccccc5c5ccccc53)=NC(n3c5ccccc5c5ccccc53)C2)c2ccccc2n4-c2ccccc2)CC1
InChIInChI=1S/C53H37N5/c1-2-16-34(17-3-1)55-44-24-10-8-22-40(44)42-33-51-43(32-50(42)55)41-23-9-11-25-45(41)56(51)35-30-52(57-46-26-12-4-18-36(46)37-19-5-13-27-47(37)57)54-53(31-35)58-48-28-14-6-20-38(48)39-21-7-15-29-49(39)58/h1-8,10-22,24-30,32-33,53H,9,23,31H2
InChIKeyPZEIAURKFHVIAG-UHFFFAOYSA-N
MW743.91 g/mol
LogP13.30
Rot. Bonds3

About 11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole

11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole (PubChem CID 123821355) has the molecular formula C53H37N5 and a molecular weight of 743.91 g/mol. Its IUPAC name is 11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole
PubChem CID123821355
Molecular FormulaC53H37N5
Molecular Weight743.91 g/mol
Exact Mass743.30
IUPAC Name11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole
SMILESC1=Cc2c(c3cc4c(cc3n2C2=CC(n3c5ccccc5c5ccccc53)=NC(n3c5ccccc5c5ccccc53)C2)c2ccccc2n4-c2ccccc2)CC1
InChIInChI=1S/C53H37N5/c1-2-16-34(17-3-1)55-44-24-10-8-22-40(44)42-33-51-43(32-50(42)55)41-23-9-11-25-45(41)56(51)35-30-52(57-46-26-12-4-18-36(46)37-19-5-13-27-47(37)57)54-53(31-35)58-48-28-14-6-20-38(48)39-21-7-15-29-49(39)58/h1-8,10-22,24-30,32-33,53H,9,23,31H2
InChIKeyPZEIAURKFHVIAG-UHFFFAOYSA-N
XLogP13.30
TPSA32.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.91
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
CID 170205043
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253
5-(3-carbazol-9-ylphenyl)-11-[3-(12-phenyl-1,2-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 88950410
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911

Frequently Asked Questions

What is the IUPAC name of 11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole?
The IUPAC name of 11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole (CID 123821355) is 11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole?
The canonical SMILES for 11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole is C1=Cc2c(c3cc4c(cc3n2C2=CC(n3c5ccccc5c5ccccc53)=NC(n3c5ccccc5c5ccccc53)C2)c2ccccc2n4-c2ccccc2)CC1.
What is the InChIKey of 11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole?
The InChIKey is PZEIAURKFHVIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N5/c1-2-16-34(17-3-1)55-44-24-10-8-22-40(44)42-33-51-43(32-50(42)55)41-23-9-11-25-45(41)56(51)35-30-52(57-46-26-12-4-18-36(46)37-19-5-13-27-47(37)57)54-53(31-35)58-48-28-14-6-20-38(48)39-21-7-15-29-49(39)58/h1-8,10-22,24-30,32-33,53H,9,23,31H2.
What are the key properties of 11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole?
11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole has a molecular weight of 743.91 g/mol, XLogP of 13.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2,6-di(carbazol-9-yl)-2,3-dihydropyridin-4-yl]-5-phenyl-7,8-dihydroindolo[3,2-b]carbazole is sourced from PubChem (CID 123821355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).