5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole

C36H22N6 — CID 170407048

IUPAC5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2ncc3nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)ncc3n2)cc1
InChIInChI=1S/C36H22N6/c1-3-11-23(12-4-1)35-37-21-29-28(39-35)22-38-36(40-29)42-30-17-9-7-15-25(30)26-19-20-32-33(34(26)42)27-16-8-10-18-31(27)41(32)24-13-5-2-6-14-24/h1-22H
InChIKeyBEZGKUYDXIGNAK-UHFFFAOYSA-N
MW538.61 g/mol
LogP8.28
Rot. Bonds3

About 5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole

5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole (PubChem CID 170407048) has the molecular formula C36H22N6 and a molecular weight of 538.61 g/mol. Its IUPAC name is 5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole
PubChem CID170407048
Molecular FormulaC36H22N6
Molecular Weight538.61 g/mol
Exact Mass538.19
IUPAC Name5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2ncc3nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)ncc3n2)cc1
InChIInChI=1S/C36H22N6/c1-3-11-23(12-4-1)35-37-21-29-28(39-35)22-38-36(40-29)42-30-17-9-7-15-25(30)26-19-20-32-33(34(26)42)27-16-8-10-18-31(27)41(32)24-13-5-2-6-14-24/h1-22H
InChIKeyBEZGKUYDXIGNAK-UHFFFAOYSA-N
XLogP8.28
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-12-(17-phenyl-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl)indolo[3,2-c]carbazole
CID 139484020
12-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 158439679
9-phenyl-23-quinazolin-2-yl-9,23-diazahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122465142
10-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 129141718
5-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162363120
5-(2,7-diphenylpurin-8-yl)-12-phenylindolo[3,2-c]carbazole
CID 118150808
5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 129141708
5-(3-carbazol-9-ylphenyl)-12-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 88917477
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]indole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157300404
12-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 162424954
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole?
The IUPAC name of 5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole (CID 170407048) is 5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole is c1ccc(-c2ncc3nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)ncc3n2)cc1.
What is the InChIKey of 5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole?
The InChIKey is BEZGKUYDXIGNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6/c1-3-11-23(12-4-1)35-37-21-29-28(39-35)22-38-36(40-29)42-30-17-9-7-15-25(30)26-19-20-32-33(34(26)42)27-16-8-10-18-31(27)41(32)24-13-5-2-6-14-24/h1-22H.
What are the key properties of 5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole?
5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole has a molecular weight of 538.61 g/mol, XLogP of 8.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-12-(6-phenylpyrimido[5,4-d]pyrimidin-2-yl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170407048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).