5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole

C39H25N5 — CID 176634513

IUPAC5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C39H25N5/c1-2-13-26(14-3-1)31-25-32(42-39(41-31)44-33-19-8-4-15-27(33)28-16-5-9-20-34(28)44)29-17-6-10-21-35(29)43-36-22-11-7-18-30(36)38-37(43)23-12-24-40-38/h1-25H
InChIKeyUFBDTTAHKYILMD-UHFFFAOYSA-N
MW563.66 g/mol
LogP9.40
Rot. Bonds4

About 5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole

5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole (PubChem CID 176634513) has the molecular formula C39H25N5 and a molecular weight of 563.66 g/mol. Its IUPAC name is 5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
PubChem CID176634513
Molecular FormulaC39H25N5
Molecular Weight563.66 g/mol
Exact Mass563.21
IUPAC Name5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
SMILESc1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C39H25N5/c1-2-13-26(14-3-1)31-25-32(42-39(41-31)44-33-19-8-4-15-27(33)28-16-5-9-20-34(28)44)29-17-6-10-21-35(29)43-36-22-11-7-18-30(36)38-37(43)23-12-24-40-38/h1-25H
InChIKeyUFBDTTAHKYILMD-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

9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole
CID 176634730
5-(4,6-diphenylpyrimidin-2-yl)-7-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587723
5-(4,6-diphenyl-2-pyridinyl)-8-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenyl-2-pyridinyl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole;5-(4,6-diphenyl-2-pyridinyl)-8-[5-(4,6-diphenylpyrimidin-2-yl)pyrido[3,2-b]indol-8-yl]pyrido[3,2-b]indole
CID 158303193
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
5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole
CID 176634776
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
10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine
CID 135131249
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole
CID 70836942
16-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 118458426
9-(4-dibenzothiophen-1-yl-6-phenylpyrimidin-2-yl)carbazole
CID 118154625

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole (CID 176634513) is 5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole is c1ccc(-c2cc(-c3ccccc3-n3c4ccccc4c4ncccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole?
The InChIKey is UFBDTTAHKYILMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N5/c1-2-13-26(14-3-1)31-25-32(42-39(41-31)44-33-19-8-4-15-27(33)28-16-5-9-20-34(28)44)29-17-6-10-21-35(29)43-36-22-11-7-18-30(36)38-37(43)23-12-24-40-38/h1-25H.
What are the key properties of 5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole?
5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-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 5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 176634513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).