5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole

C40H27N3 — CID 118229253

IUPAC5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4c(n3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C40H27N3/c1-4-14-28(15-5-1)30-18-12-20-32(26-30)37-39-38(35-24-10-11-25-36(35)43(39)34-22-8-3-9-23-34)42-40(41-37)33-21-13-19-31(27-33)29-16-6-2-7-17-29/h1-27H
InChIKeyOBMYIYNUMFMWJE-UHFFFAOYSA-N
MW549.68 g/mol
LogP10.24
Rot. Bonds5

About 5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole

5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole (PubChem CID 118229253) has the molecular formula C40H27N3 and a molecular weight of 549.68 g/mol. Its IUPAC name is 5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole.

Molecular Properties

Compound Name5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole
PubChem CID118229253
Molecular FormulaC40H27N3
Molecular Weight549.68 g/mol
Exact Mass549.22
IUPAC Name5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4c(n3)c3ccccc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C40H27N3/c1-4-14-28(15-5-1)30-18-12-20-32(26-30)37-39-38(35-24-10-11-25-36(35)43(39)34-22-8-3-9-23-34)42-40(41-37)33-21-13-19-31(27-33)29-16-6-2-7-17-29/h1-27H
InChIKeyOBMYIYNUMFMWJE-UHFFFAOYSA-N
XLogP10.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.68
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-diphenyl-2-[3-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole
CID 162186175
2-(3,5-diphenylphenyl)-5-phenyl-4-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(3-phenylphenyl)pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(4-phenylphenyl)pyrimido[5,4-b]indole;4,5-diphenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole
CID 158496211
2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole
CID 160767185
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,5-diphenylpyrimido[5,4-b]indole
CID 122628688
[3-[3-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)phenyl]phenyl]-triphenylsilane
CID 140763876
2-[3-[3-[3-[3-(4,5-diphenylpyrimido[5,4-b]indol-2-yl)phenyl]phenyl]phenyl]phenyl]-4-phenylbenzo[h]quinazoline
CID 122628732
2-phenyl-6-[3-(9-phenylcarbazol-1-yl)phenyl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 142551363
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
9-[3-[4-(3-carbazol-9-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 118901354
2,4,5-triphenyl-8-[9-[4-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]pyrimido[5,4-b]indole
CID 138617824
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362852

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole?
The IUPAC name of 5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole (CID 118229253) is 5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole.
What is the SMILES notation for 5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole?
The canonical SMILES for 5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)c4c(n3)c3ccccc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole?
The InChIKey is OBMYIYNUMFMWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N3/c1-4-14-28(15-5-1)30-18-12-20-32(26-30)37-39-38(35-24-10-11-25-36(35)43(39)34-22-8-3-9-23-34)42-40(41-37)33-21-13-19-31(27-33)29-16-6-2-7-17-29/h1-27H.
What are the key properties of 5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole?
5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole has a molecular weight of 549.68 g/mol, XLogP of 10.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,4-bis(3-phenylphenyl)pyrimido[5,4-b]indole is sourced from PubChem (CID 118229253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).