9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole

C45H29N5 — CID 118587670

IUPAC9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccc4c4cccnc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-45(47-39)50-42-28-32(25-26-36(42)38-23-13-27-46-44(38)50)34-21-12-22-37-35-20-10-11-24-41(35)49(43(34)37)33-18-8-3-9-19-33/h1-29H
InChIKeyPAQJWDBXDXZUAR-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

About 9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole

9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole (PubChem CID 118587670) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
PubChem CID118587670
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccc4c4cccnc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-45(47-39)50-42-28-32(25-26-36(42)38-23-13-27-46-44(38)50)34-21-12-22-37-35-20-10-11-24-41(35)49(43(34)37)33-18-8-3-9-19-33/h1-29H
InChIKeyPAQJWDBXDXZUAR-UHFFFAOYSA-N
XLogP11.07
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
CID 118587665
9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 162011548
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221363
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221371
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 118587653
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221443
7-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-phenylpyrido[2,3-b]indole
CID 118587684
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-2-yl)pyrido[2,3-b]indole
CID 129221621
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 118587050
9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole
CID 176634730
9-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole
CID 118586973
7-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 129221390

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole (CID 118587670) is 9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4cc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)ccc4c4cccnc43)n2)cc1.
What is the InChIKey of 9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole?
The InChIKey is PAQJWDBXDXZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-45(47-39)50-42-28-32(25-26-36(42)38-23-13-27-46-44(38)50)34-21-12-22-37-35-20-10-11-24-41(35)49(43(34)37)33-18-8-3-9-19-33/h1-29H.
What are the key properties of 9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole?
9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole has a molecular weight of 639.76 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 118587670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).