9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole

C39H25N5 — CID 176634730

IUPAC9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4cccnc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C39H25N5/c1-2-13-26(14-3-1)32-25-33(42-39(41-32)44-35-21-9-4-15-27(35)28-16-5-10-22-36(28)44)31-18-7-11-23-37(31)43-34-20-8-6-17-29(34)30-19-12-24-40-38(30)43/h1-25H
InChIKeyQLMAPBRBKGHUTK-UHFFFAOYSA-N
MW563.66 g/mol
LogP9.40
Rot. Bonds4

About 9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole

9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole (PubChem CID 176634730) has the molecular formula C39H25N5 and a molecular weight of 563.66 g/mol. Its IUPAC name is 9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole
PubChem CID176634730
Molecular FormulaC39H25N5
Molecular Weight563.66 g/mol
Exact Mass563.21
IUPAC Name9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4cccnc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C39H25N5/c1-2-13-26(14-3-1)32-25-33(42-39(41-32)44-35-21-9-4-15-27(35)28-16-5-10-22-36(28)44)31-18-7-11-23-37(31)43-34-20-8-6-17-29(34)30-19-12-24-40-38(30)43/h1-25H
InChIKeyQLMAPBRBKGHUTK-UHFFFAOYSA-N
XLogP9.40
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.66
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
CID 176634513
9-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 118587670
9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
CID 70836919
9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole
CID 176634498
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 153287600
7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 169036842
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole
CID 170659259
7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole
CID 70836942
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 118587653
9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole
CID 118154625

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole?
The IUPAC name of 9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole (CID 176634730) is 9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole.
What is the SMILES notation for 9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole?
The canonical SMILES for 9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole is c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4cccnc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole?
The InChIKey is QLMAPBRBKGHUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5/c1-2-13-26(14-3-1)32-25-33(42-39(41-32)44-35-21-9-4-15-27(35)28-16-5-10-22-36(28)44)31-18-7-11-23-37(31)43-34-20-8-6-17-29(34)30-19-12-24-40-38(30)43/h1-25H.
What are the key properties of 9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole?
9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole has a molecular weight of 563.66 g/mol, XLogP of 9.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 176634730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).