12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole

C51H33N3 — CID 155240123

IUPAC12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c4ccccc34)c2)cc1
InChIInChI=1S/C51H33N3/c1-4-16-34(17-5-1)36-32-45(35-18-6-2-7-19-35)52-46(33-36)39-30-31-49(40-23-11-10-22-38(39)40)54-48-27-15-13-25-42(48)44-29-28-43-41-24-12-14-26-47(41)53(50(43)51(44)54)37-20-8-3-9-21-37/h1-33H
InChIKeyAJWPZVNSAVRWTM-UHFFFAOYSA-N
MW687.85 g/mol
LogP13.43
Rot. Bonds5

About 12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole

12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 155240123) has the molecular formula C51H33N3 and a molecular weight of 687.85 g/mol. Its IUPAC name is 12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole
PubChem CID155240123
Molecular FormulaC51H33N3
Molecular Weight687.85 g/mol
Exact Mass687.27
IUPAC Name12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c4ccccc34)c2)cc1
InChIInChI=1S/C51H33N3/c1-4-16-34(17-5-1)36-32-45(35-18-6-2-7-19-35)52-46(33-36)39-30-31-49(40-23-11-10-22-38(39)40)54-48-27-15-13-25-42(48)44-29-28-43-41-24-12-14-26-47(41)53(50(43)51(44)54)37-20-8-3-9-21-37/h1-33H
InChIKeyAJWPZVNSAVRWTM-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-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696
12-[4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 155240392
11-phenyl-12-(2-phenylquinolin-4-yl)indolo[2,3-a]carbazole
CID 118501924
12-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 161100572
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-(9,9-dimethylfluoren-2-yl)-11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]indolo[2,3-a]carbazole
CID 121385344
1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149343
12-(3-phenylphenyl)-11-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385286
11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
CID 118041109
5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597921

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole (CID 155240123) is 12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c4ccccc34)c2)cc1.
What is the InChIKey of 12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is AJWPZVNSAVRWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3/c1-4-16-34(17-5-1)36-32-45(35-18-6-2-7-19-35)52-46(33-36)39-30-31-49(40-23-11-10-22-38(39)40)54-48-27-15-13-25-42(48)44-29-28-43-41-24-12-14-26-47(41)53(50(43)51(44)54)37-20-8-3-9-21-37/h1-33H.
What are the key properties of 12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole?
12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]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-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 155240123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).