5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole

C45H29N5 — CID 129221509

IUPAC5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2ncc(-n3c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4c4ncccc43)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)42-41(29-47-45(48-42)31-16-6-2-7-17-31)50-39-26-25-32(28-37(39)43-40(50)24-13-27-46-43)34-21-12-22-36-35-20-10-11-23-38(35)49(44(34)36)33-18-8-3-9-19-33/h1-29H
InChIKeyMEKKNYJOTDPRBW-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

About 5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole

5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole (PubChem CID 129221509) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
PubChem CID129221509
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
SMILESc1ccc(-c2ncc(-n3c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4c4ncccc43)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)42-41(29-47-45(48-42)31-16-6-2-7-17-31)50-39-26-25-32(28-37(39)43-40(50)24-13-27-46-43)34-21-12-22-36-35-20-10-11-23-38(35)49(44(34)36)33-18-8-3-9-19-33/h1-29H
InChIKeyMEKKNYJOTDPRBW-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

5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 129221488
8-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-1-yl]-5-phenylpyrido[3,2-b]indole
CID 129221525
8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-5-phenylpyrido[4,3-b]indole;8-(9-phenylcarbazol-1-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole
CID 161153615
7-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole
CID 129221390
6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole
CID 159364512
6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;methane
CID 161340587
6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 161381057
7-(9-phenylcarbazol-1-yl)-5-(3-phenylphenyl)pyrido[3,2-b]indole;7-(9-phenylcarbazol-1-yl)-5-(4-phenylphenyl)pyrido[3,2-b]indole;5-phenyl-7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole;5-(3-phenylphenyl)-7-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[3,2-b]indole
CID 158647779
5-(2,6-diphenyl-4-pyridinyl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(2,4-diphenylpyrimidin-5-yl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole;5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 162144905
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]-3,6-diphenylcarbazole
CID 138599572
8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-5-phenylpyrido[3,2-b]indole
CID 88886611
1-bromo-9-(2,4-diphenylpyrimidin-5-yl)carbazole
CID 129221559

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole?
The IUPAC name of 5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole (CID 129221509) is 5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole.
What is the SMILES notation for 5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole?
The canonical SMILES for 5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole is c1ccc(-c2ncc(-n3c4ccc(-c5cccc6c7ccccc7n(-c7ccccc7)c56)cc4c4ncccc43)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole?
The InChIKey is MEKKNYJOTDPRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-14-30(15-5-1)42-41(29-47-45(48-42)31-16-6-2-7-17-31)50-39-26-25-32(28-37(39)43-40(50)24-13-27-46-43)34-21-12-22-36-35-20-10-11-23-38(35)49(44(34)36)33-18-8-3-9-19-33/h1-29H.
What are the key properties of 5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole?
5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-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 5-(2,4-diphenylpyrimidin-5-yl)-8-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole is sourced from PubChem (CID 129221509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).