7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole

C31H20N4 — CID 70836942

IUPAC7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5cccnc5ccc43)n2)cc1
InChIInChI=1S/C31H20N4/c1-3-10-21(11-4-1)26-20-27(22-12-5-2-6-13-22)34-31(33-26)35-28-16-8-7-14-24(28)30-23-15-9-19-32-25(23)17-18-29(30)35/h1-20H
InChIKeyKQKHOTUSBOLDAS-UHFFFAOYSA-N
MW448.53 g/mol
LogP7.46
Rot. Bonds3

About 7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole

7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole (PubChem CID 70836942) has the molecular formula C31H20N4 and a molecular weight of 448.53 g/mol. Its IUPAC name is 7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole.

Molecular Properties

Compound Name7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole
PubChem CID70836942
Molecular FormulaC31H20N4
Molecular Weight448.53 g/mol
Exact Mass448.17
IUPAC Name7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5cccnc5ccc43)n2)cc1
InChIInChI=1S/C31H20N4/c1-3-10-21(11-4-1)26-20-27(22-12-5-2-6-13-22)34-31(33-26)35-28-16-8-7-14-24(28)30-23-15-9-19-32-25(23)17-18-29(30)35/h1-20H
InChIKeyKQKHOTUSBOLDAS-UHFFFAOYSA-N
XLogP7.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937291
9,14-bis(4,6-diphenylpyrimidin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 70851555
25-(4,6-diphenylpyrimidin-2-yl)-3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432339
9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole
CID 176634730
9-(4,6-diphenylpyrimidin-2-yl)-14-(5-phenylfuran-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118041157
21-(4,6-diphenylpyrimidin-2-yl)-2,9,21-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.022,27]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),22,24,26-tridecaene
CID 90432474
9-(4,6-diphenylpyrimidin-2-yl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 89017184
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 157253653
9-(4,6-diphenylpyrimidin-2-yl)-14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenylpyrimidin-2-yl)-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159568405
5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
CID 176634513
7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole
CID 90269684

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole?
The IUPAC name of 7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole (CID 70836942) is 7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole.
What is the SMILES notation for 7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole?
The canonical SMILES for 7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5cccnc5ccc43)n2)cc1.
What is the InChIKey of 7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole?
The InChIKey is KQKHOTUSBOLDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N4/c1-3-10-21(11-4-1)26-20-27(22-12-5-2-6-13-22)34-31(33-26)35-28-16-8-7-14-24(28)30-23-15-9-19-32-25(23)17-18-29(30)35/h1-20H.
What are the key properties of 7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole?
7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole has a molecular weight of 448.53 g/mol, XLogP of 7.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenylpyrimidin-2-yl)pyrido[2,3-c]carbazole is sourced from PubChem (CID 70836942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).