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

C258H174N18 — CID 162186175

IUPAC4,5-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
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)c2)cc1
InChIInChI=1S/3C46H31N3.3C40H27N3/c1-4-15-32(16-5-1)34-19-12-21-36(29-34)37-22-14-24-39(31-37)46-47-43(38-23-13-20-35(30-38)33-17-6-2-7-18-33)45-44(48-46)41-27-10-11-28-42(41)49(45)40-25-8-3-9-26-40;1-4-14-32(15-5-1)36-18-12-19-37(30-36)34-26-28-35(29-27-34)46-47-43(39-21-13-20-38(31-39)33-16-6-2-7-17-33)45-44(48-46)41-24-10-11-25-42(41)49(45)40-22-8-3-9-23-40;1-4-13-32(14-5-1)34-23-25-35(26-24-34)36-27-29-37(30-28-36)46-47-43(39-18-12-17-38(31-39)33-15-6-2-7-16-33)45-44(48-46)41-21-10-11-22-42(41)49(45)40-19-8-3-9-20-40;1-4-13-28(14-5-1)32-17-12-18-33(27-32)29-23-25-31(26-24-29)40-41-37(30-15-6-2-7-16-30)39-38(42-40)35-21-10-11-22-36(35)43(39)34-19-8-3-9-20-34;1-4-13-28(14-5-1)29-23-25-30(26-24-29)32-17-12-18-33(27-32)40-41-37(31-15-6-2-7-16-31)39-38(42-40)35-21-10-11-22-36(35)43(39)34-19-8-3-9-20-34;1-4-12-28(13-5-1)29-20-22-30(23-21-29)31-24-26-33(27-25-31)40-41-37(32-14-6-2-7-15-32)39-38(42-40)35-18-10-11-19-36(35)43(39)34-16-8-3-9-17-34/h3*1-31H;3*1-27H
InChIKeyZPRJETPWMIBUQK-UHFFFAOYSA-N
MW3526.36 g/mol
LogP66.45
Rot. Bonds33

About 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

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 (PubChem CID 162186175) has the molecular formula C258H174N18 and a molecular weight of 3526.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5-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
PubChem CID162186175
Molecular FormulaC258H174N18
Molecular Weight3526.36 g/mol
Exact Mass3523.42
IUPAC Name4,5-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
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)c2)cc1
InChIInChI=1S/3C46H31N3.3C40H27N3/c1-4-15-32(16-5-1)34-19-12-21-36(29-34)37-22-14-24-39(31-37)46-47-43(38-23-13-20-35(30-38)33-17-6-2-7-18-33)45-44(48-46)41-27-10-11-28-42(41)49(45)40-25-8-3-9-26-40;1-4-14-32(15-5-1)36-18-12-19-37(30-36)34-26-28-35(29-27-34)46-47-43(39-21-13-20-38(31-39)33-16-6-2-7-17-33)45-44(48-46)41-24-10-11-25-42(41)49(45)40-22-8-3-9-23-40;1-4-13-32(14-5-1)34-23-25-35(26-24-34)36-27-29-37(30-28-36)46-47-43(39-18-12-17-38(31-39)33-15-6-2-7-16-33)45-44(48-46)41-21-10-11-22-42(41)49(45)40-19-8-3-9-20-40;1-4-13-28(14-5-1)32-17-12-18-33(27-32)29-23-25-31(26-24-29)40-41-37(30-15-6-2-7-16-30)39-38(42-40)35-21-10-11-22-36(35)43(39)34-19-8-3-9-20-34;1-4-13-28(14-5-1)29-23-25-30(26-24-29)32-17-12-18-33(27-32)40-41-37(31-15-6-2-7-16-31)39-38(42-40)35-21-10-11-22-36(35)43(39)34-19-8-3-9-20-34;1-4-12-28(13-5-1)29-20-22-30(23-21-29)31-24-26-33(27-25-31)40-41-37(32-14-6-2-7-15-32)39-38(42-40)35-18-10-11-19-36(35)43(39)34-16-8-3-9-17-34/h3*1-31H;3*1-27H
InChIKeyZPRJETPWMIBUQK-UHFFFAOYSA-N
XLogP66.45
TPSA184.26 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds33
Heavy Atoms276
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003526.36
LogP ≤ 566.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 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?
The InChIKey is ZPRJETPWMIBUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H31N3.3C40H27N3/c1-4-15-32(16-5-1)34-19-12-21-36(29-34)37-22-14-24-39(31-37)46-47-43(38-23-13-20-35(30-38)33-17-6-2-7-18-33)45-44(48-46)41-27-10-11-28-42(41)49(45)40-25-8-3-9-26-40;1-4-14-32(15-5-1)36-18-12-19-37(30-36)34-26-28-35(29-27-34)46-47-43(39-21-13-20-38(31-39)33-16-6-2-7-17-33)45-44(48-46)41-24-10-11-25-42(41)49(45)40-22-8-3-9-23-40;1-4-13-32(14-5-1)34-23-25-35(26-24-34)36-27-29-37(30-28-36)46-47-43(39-18-12-17-38(31-39)33-15-6-2-7-16-33)45-44(48-46)41-21-10-11-22-42(41)49(45)40-19-8-3-9-20-40;1-4-13-28(14-5-1)32-17-12-18-33(27-32)29-23-25-31(26-24-29)40-41-37(30-15-6-2-7-16-30)39-38(42-40)35-21-10-11-22-36(35)43(39)34-19-8-3-9-20-34;1-4-13-28(14-5-1)29-23-25-30(26-24-29)32-17-12-18-33(27-32)40-41-37(31-15-6-2-7-16-31)39-38(42-40)35-21-10-11-22-36(35)43(39)34-19-8-3-9-20-34;1-4-12-28(13-5-1)29-20-22-30(23-21-29)31-24-26-33(27-25-31)40-41-37(32-14-6-2-7-15-32)39-38(42-40)35-18-10-11-19-36(35)43(39)34-16-8-3-9-17-34/h3*1-31H;3*1-27H.
What are the key properties of 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?
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 has a molecular weight of 3526.36 g/mol, XLogP of 66.45, 33 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162186175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).