6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole

C45H29N5 — CID 129221457

IUPAC6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)39-29-42(48-44(47-39)31-16-6-2-7-17-31)50-40-24-11-10-20-35(40)36-22-12-21-34(43(36)50)32-25-26-41-38(28-32)37-23-13-27-46-45(37)49(41)33-18-8-3-9-19-33/h1-29H
InChIKeyPUABVZWUJMPTDG-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.07
Rot. Bonds5

About 6-[9-(2,6-diphenylpyrimidin-4-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 (PubChem CID 129221457) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole.

Molecular Properties

Compound Name6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
PubChem CID129221457
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-30(15-5-1)39-29-42(48-44(47-39)31-16-6-2-7-17-31)50-40-24-11-10-20-35(40)36-22-12-21-34(43(36)50)32-25-26-41-38(28-32)37-23-13-27-46-45(37)49(41)33-18-8-3-9-19-33/h1-29H
InChIKeyPUABVZWUJMPTDG-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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Frequently Asked Questions

What is the IUPAC name of 6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole?
The IUPAC name of 6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole (CID 129221457) is 6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole.
What is the SMILES notation for 6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole?
The canonical SMILES for 6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole is c1ccc(-c2cc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)c43)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole?
The InChIKey is PUABVZWUJMPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-14-30(15-5-1)39-29-42(48-44(47-39)31-16-6-2-7-17-31)50-40-24-11-10-20-35(40)36-22-12-21-34(43(36)50)32-25-26-41-38(28-32)37-23-13-27-46-45(37)49(41)33-18-8-3-9-19-33/h1-29H.
What are the key properties of 6-[9-(2,6-diphenylpyrimidin-4-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 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 6-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 129221457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).