5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole

C46H30N4 — CID 129222031

IUPAC5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-n3c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4c4ncccc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-4-13-31(14-5-1)40-29-36(30-41(48-40)32-15-6-2-7-16-32)50-43-25-23-33(27-39(43)46-44(50)21-12-26-47-46)34-22-24-38-37-19-10-11-20-42(37)49(45(38)28-34)35-17-8-3-9-18-35/h1-30H
InChIKeyDBUNQXNRLKKHHF-UHFFFAOYSA-N
MW638.77 g/mol
LogP11.67
Rot. Bonds5

About 5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole

5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole (PubChem CID 129222031) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
PubChem CID129222031
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-n3c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4c4ncccc43)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-4-13-31(14-5-1)40-29-36(30-41(48-40)32-15-6-2-7-16-32)50-43-25-23-33(27-39(43)46-44(50)21-12-26-47-46)34-22-24-38-37-19-10-11-20-42(37)49(45(38)28-34)35-17-8-3-9-18-35/h1-30H
InChIKeyDBUNQXNRLKKHHF-UHFFFAOYSA-N
XLogP11.67
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-8-[9-(2-phenyl-6-pyridin-2-yl-4-pyridinyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 129221692
8-[9-(2,6-dipyridin-2-yl-4-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
CID 129222029
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587633
8-(9-phenylcarbazol-2-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-8-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[3,2-b]indole
CID 161395661
8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-5-phenylpyrido[3,2-b]indole
CID 129221693
5-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]-5-[9-(2,6-diphenyl-4-pyridinyl)-7-[9-(5-pyrido[3,2-b]indol-5-yl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]phenyl]pyrido[3,2-b]indole
CID 129253533
5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587723
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 129221991
8-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 118587585
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-8-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587590
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221525
7-[9-(3,5-dipyridin-2-ylphenyl)carbazol-3-yl]-5-phenylpyrido[3,2-b]indole
CID 129221939

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole?
The IUPAC name of 5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole (CID 129222031) is 5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole?
The canonical SMILES for 5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole is c1ccc(-c2cc(-n3c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4c4ncccc43)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole?
The InChIKey is DBUNQXNRLKKHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-4-13-31(14-5-1)40-29-36(30-41(48-40)32-15-6-2-7-16-32)50-43-25-23-33(27-39(43)46-44(50)21-12-26-47-46)34-22-24-38-37-19-10-11-20-42(37)49(45(38)28-34)35-17-8-3-9-18-35/h1-30H.
What are the key properties of 5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole?
5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole has a molecular weight of 638.77 g/mol, XLogP of 11.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diphenyl-4-pyridinyl)-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 129222031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).