12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole

C51H33N3 — CID 155240850

IUPAC12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6ccccc6c5)c43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H33N3/c1-3-16-35(17-4-1)44-32-38(33-45(52-44)36-18-5-2-6-19-36)40-21-9-12-24-46(40)54-47-25-13-10-22-41(47)42-29-30-49-50(51(42)54)43-23-11-14-26-48(43)53(49)39-28-27-34-15-7-8-20-37(34)31-39/h1-33H
InChIKeyNCPVFIBJBWCGHK-UHFFFAOYSA-N
MW687.85 g/mol
LogP13.43
Rot. Bonds5

About 12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole

12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole (PubChem CID 155240850) has the molecular formula C51H33N3 and a molecular weight of 687.85 g/mol. Its IUPAC name is 12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole
PubChem CID155240850
Molecular FormulaC51H33N3
Molecular Weight687.85 g/mol
Exact Mass687.27
IUPAC Name12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6ccccc6c5)c43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C51H33N3/c1-3-16-35(17-4-1)44-32-38(33-45(52-44)36-18-5-2-6-19-36)40-21-9-12-24-46(40)54-47-25-13-10-22-41(47)42-29-30-49-50(51(42)54)43-23-11-14-26-48(43)53(49)39-28-27-34-15-7-8-20-37(34)31-39/h1-33H
InChIKeyNCPVFIBJBWCGHK-UHFFFAOYSA-N
XLogP13.43
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.85
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[6-(2-naphthalen-2-yl-6-phenyl-4-pyridinyl)naphthalen-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 155240145
5-[6-(4,6-diphenyl-2-pyridinyl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 155241006
9-(2,6-diphenyl-4-pyridinyl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937339
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 156530949
12-[2-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole;5-phenyl-12-[2-[2-phenyl-6-(3-phenylphenyl)-4-pyridinyl]phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole;5-phenyl-12-[2-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 158523648
5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
5-naphthalen-2-yl-12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240395
9-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;10-carbazol-9-yl-12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-(2-phenylphenyl)indolo[3,2-c]carbazole
CID 161451150
9-naphthalen-2-yl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-naphthalen-2-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159589030
5-naphthalen-2-yl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 142481966
12-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-phenylindolo[3,2-c]carbazole;5-naphthalen-2-yl-12-[2-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole;12-[2-(2-naphthalen-1-yl-6-phenyl-4-pyridinyl)phenyl]-5-(2-phenylphenyl)indolo[3,2-c]carbazole;5-(3-phenylphenyl)-12-[2-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 161194679
12-[2,6-di(pyren-2-yl)-4-pyridinyl]-5-naphthalen-1-ylindolo[3,2-c]carbazole;12-[2,6-di(pyren-2-yl)-4-pyridinyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole
CID 160857395

Frequently Asked Questions

What is the IUPAC name of 12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole?
The IUPAC name of 12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole (CID 155240850) is 12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccc6ccccc6c5)c43)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole?
The InChIKey is NCPVFIBJBWCGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3/c1-3-16-35(17-4-1)44-32-38(33-45(52-44)36-18-5-2-6-19-36)40-21-9-12-24-46(40)54-47-25-13-10-22-41(47)42-29-30-49-50(51(42)54)43-23-11-14-26-48(43)53(49)39-28-27-34-15-7-8-20-37(34)31-39/h1-33H.
What are the key properties of 12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole?
12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole has a molecular weight of 687.85 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-5-naphthalen-2-ylindolo[3,2-c]carbazole is sourced from PubChem (CID 155240850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).