5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole

C31H19N5 — CID 145010179

IUPAC5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ncnc3ncccc23)cc1
InChIInChI=1S/C31H19N5/c1-2-9-20(10-3-1)35-26-14-6-4-11-21(26)24-18-29-25(17-28(24)35)22-12-5-7-15-27(22)36(29)31-23-13-8-16-32-30(23)33-19-34-31/h1-19H
InChIKeyWVXVXNZNOYBCSK-UHFFFAOYSA-N
MW461.53 g/mol
LogP7.22
Rot. Bonds2

About 5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole

5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole (PubChem CID 145010179) has the molecular formula C31H19N5 and a molecular weight of 461.53 g/mol. Its IUPAC name is 5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole
PubChem CID145010179
Molecular FormulaC31H19N5
Molecular Weight461.53 g/mol
Exact Mass461.16
IUPAC Name5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ncnc3ncccc23)cc1
InChIInChI=1S/C31H19N5/c1-2-9-20(10-3-1)35-26-14-6-4-11-21(26)24-18-29-25(17-28(24)35)22-12-5-7-15-27(22)36(29)31-23-13-8-16-32-30(23)33-19-34-31/h1-19H
InChIKeyWVXVXNZNOYBCSK-UHFFFAOYSA-N
XLogP7.22
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene
CID 140956768
ethane;5-phenyl-11-pyrimidin-2-ylindolo[3,2-b]carbazole
CID 123300627
23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 140956310
20-phenyl-3,5,10,12,20-pentazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),2,4(9),5,7,11(16),12,14,18,21,23,25,27-tridecaene
CID 158948075
20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 166015522
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylpyrido[2,3-b]indole
CID 168845228
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
9-phenylpyrido[2,3-b]indole
CID 15939260
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
11-[2-[3,5-bis[5-(5-phenylindolo[3,2-b]carbazol-11-yl)pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-5-phenylindolo[3,2-b]carbazole
CID 153482869
7,17-diphenyl-7,17,22,29,31-pentazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30(35),31,33-hexadecaene
CID 140956283

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole?
The IUPAC name of 5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole (CID 145010179) is 5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole.
What is the SMILES notation for 5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole?
The canonical SMILES for 5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ncnc3ncccc23)cc1.
What is the InChIKey of 5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole?
The InChIKey is WVXVXNZNOYBCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N5/c1-2-9-20(10-3-1)35-26-14-6-4-11-21(26)24-18-29-25(17-28(24)35)22-12-5-7-15-27(22)36(29)31-23-13-8-16-32-30(23)33-19-34-31/h1-19H.
What are the key properties of 5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole?
5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole has a molecular weight of 461.53 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-11-pyrido[2,3-d]pyrimidin-4-ylindolo[3,2-b]carbazole is sourced from PubChem (CID 145010179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).