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

C47H31N3 — CID 118501935

IUPAC12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-4-14-33(15-5-1)42-30-35(31-43(48-42)34-16-6-2-7-17-34)32-24-26-37(27-25-32)50-45-23-13-11-21-39(45)41-29-28-40-38-20-10-12-22-44(38)49(46(40)47(41)50)36-18-8-3-9-19-36/h1-31H
InChIKeyMKDDDWCWJZUBKB-UHFFFAOYSA-N
MW637.79 g/mol
LogP12.28
Rot. Bonds5

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

12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 118501935) has the molecular formula C47H31N3 and a molecular weight of 637.79 g/mol. Its IUPAC name is 12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
PubChem CID118501935
Molecular FormulaC47H31N3
Molecular Weight637.79 g/mol
Exact Mass637.25
IUPAC Name12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N3/c1-4-14-33(15-5-1)42-30-35(31-43(48-42)34-16-6-2-7-17-34)32-24-26-37(27-25-32)50-45-23-13-11-21-39(45)41-29-28-40-38-20-10-12-22-44(38)49(46(40)47(41)50)36-18-8-3-9-19-36/h1-31H
InChIKeyMKDDDWCWJZUBKB-UHFFFAOYSA-N
XLogP12.28
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.79
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-[4-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]-11-phenylindolo[2,3-a]carbazole
CID 155240123
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-(3-phenylphenyl)-11-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385286
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696
11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
CID 118041109
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-15,18-diphenyl-5,15,18-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15,18-diphenyl-5,15,18-triazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 159556632
12-(2,6-diphenylpyrimidin-4-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 121385306
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943390

Frequently Asked Questions

What is the IUPAC name of 12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole (CID 118501935) is 12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole?
The InChIKey is MKDDDWCWJZUBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N3/c1-4-14-33(15-5-1)42-30-35(31-43(48-42)34-16-6-2-7-17-34)32-24-26-37(27-25-32)50-45-23-13-11-21-39(45)41-29-28-40-38-20-10-12-22-44(38)49(46(40)47(41)50)36-18-8-3-9-19-36/h1-31H.
What are the key properties of 12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole?
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole has a molecular weight of 637.79 g/mol, XLogP of 12.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 118501935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).