2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole

C150H100N12 — CID 158756135

IUPAC2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc3c2c2ccccc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5ccccc5c4)c3)nc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/2C40H27N3.C38H25N3.C32H21N3/c1-4-16-28(17-5-1)31-22-10-12-24-33(31)38-37-35-26-14-15-27-36(35)43(30-20-8-3-9-21-30)40(37)42-39(41-38)34-25-13-11-23-32(34)29-18-6-2-7-19-29;1-4-15-28(16-5-1)30-19-14-20-31(27-30)38-37-35-25-12-13-26-36(35)43(32-21-8-3-9-22-32)40(37)42-39(41-38)34-24-11-10-23-33(34)29-17-6-2-7-18-29;1-3-13-27(14-4-1)36-35-33-20-9-10-21-34(33)41(32-18-5-2-6-19-32)38(35)40-37(39-36)31-17-11-16-29(25-31)30-23-22-26-12-7-8-15-28(26)24-30;1-3-12-23(13-4-1)30-29-27-17-9-10-18-28(27)35(26-15-5-2-6-16-26)32(29)34-31(33-30)25-20-19-22-11-7-8-14-24(22)21-25/h2*1-27H;1-25H;1-21H
InChIKeyIOCHPUKMNRBZKH-UHFFFAOYSA-N
MW2070.53 g/mol
LogP38.27
Rot. Bonds17

About 2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole

2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole (PubChem CID 158756135) has the molecular formula C150H100N12 and a molecular weight of 2070.53 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole.

Molecular Properties

Compound Name2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
PubChem CID158756135
Molecular FormulaC150H100N12
Molecular Weight2070.53 g/mol
Exact Mass2068.82
IUPAC Name2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc3c2c2ccccc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5ccccc5c4)c3)nc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/2C40H27N3.C38H25N3.C32H21N3/c1-4-16-28(17-5-1)31-22-10-12-24-33(31)38-37-35-26-14-15-27-36(35)43(30-20-8-3-9-21-30)40(37)42-39(41-38)34-25-13-11-23-32(34)29-18-6-2-7-19-29;1-4-15-28(16-5-1)30-19-14-20-31(27-30)38-37-35-25-12-13-26-36(35)43(32-21-8-3-9-22-32)40(37)42-39(41-38)34-24-11-10-23-33(34)29-17-6-2-7-18-29;1-3-13-27(14-4-1)36-35-33-20-9-10-21-34(33)41(32-18-5-2-6-19-32)38(35)40-37(39-36)31-17-11-16-29(25-31)30-23-22-26-12-7-8-15-28(26)24-30;1-3-12-23(13-4-1)30-29-27-17-9-10-18-28(27)35(26-15-5-2-6-16-26)32(29)34-31(33-30)25-20-19-22-11-7-8-14-24(22)21-25/h2*1-27H;1-25H;1-21H
InChIKeyIOCHPUKMNRBZKH-UHFFFAOYSA-N
XLogP38.27
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002070.53
LogP ≤ 538.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole with MolForge

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Related Compounds

9-phenyl-2-(9-phenylcarbazol-3-yl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole
CID 118232378
10-[3-(4,9-diphenylpyrimido[4,5-b]indol-2-yl)phenyl]-7-phenylbenzo[c]carbazole;9-phenyl-4-(3-phenylphenyl)-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;7-phenyl-10-[3-[9-phenyl-4-(3-phenylphenyl)pyrimido[4,5-b]indol-2-yl]phenyl]benzo[c]carbazole
CID 159801398
2-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole;4,9-diphenyl-2-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]pyrimido[4,5-b]indole
CID 158253323
4,9-diphenyl-2-[3-[3-(3-phenylquinoxalin-2-yl)phenyl]phenyl]pyrimido[4,5-b]indole
CID 122628977
2-[3-(3-carbazol-9-ylphenyl)phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010743
2-[3-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]phenyl]-4,9-diphenylpyrimido[4,5-b]indole
CID 154010769
4,9-diphenyl-2-[3-[3-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]pyrimido[4,5-b]indole
CID 122628960
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,9-diphenylpyrimido[4,5-b]indole
CID 122628951
9-[3-[2-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032128
4-(3-carbazol-9-ylphenyl)-9-phenyl-2-(9-phenylcarbazol-2-yl)pyrimido[4,5-b]indole
CID 118232381
2-(3-carbazol-9-ylphenyl)-9-phenyl-4-(9-phenylcarbazol-3-yl)pyrimido[4,5-b]indole;2-carbazol-9-yl-9-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[4,5-b]indole;2-carbazol-9-yl-9-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]pyrimido[4,5-b]indole
CID 159842963
9-[4-[4-naphthalen-2-yl-6-[3-(8-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 177283094

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
The IUPAC name of 2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole (CID 158756135) is 2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole.
What is the SMILES notation for 2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
The canonical SMILES for 2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole is c1ccc(-c2cccc(-c3nc(-c4ccccc4-c4ccccc4)nc4c3c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccccc3-c3ccccc3)c3c4ccccc4n(-c4ccccc4)c3n2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc3c2c2ccccc2n3-c2ccccc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5ccccc5c4)c3)nc3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
The InChIKey is IOCHPUKMNRBZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H27N3.C38H25N3.C32H21N3/c1-4-16-28(17-5-1)31-22-10-12-24-33(31)38-37-35-26-14-15-27-36(35)43(30-20-8-3-9-21-30)40(37)42-39(41-38)34-25-13-11-23-32(34)29-18-6-2-7-19-29;1-4-15-28(16-5-1)30-19-14-20-31(27-30)38-37-35-25-12-13-26-36(35)43(32-21-8-3-9-22-32)40(37)42-39(41-38)34-24-11-10-23-33(34)29-17-6-2-7-18-29;1-3-13-27(14-4-1)36-35-33-20-9-10-21-34(33)41(32-18-5-2-6-19-32)38(35)40-37(39-36)31-17-11-16-29(25-31)30-23-22-26-12-7-8-15-28(26)24-30;1-3-12-23(13-4-1)30-29-27-17-9-10-18-28(27)35(26-15-5-2-6-16-26)32(29)34-31(33-30)25-20-19-22-11-7-8-14-24(22)21-25/h2*1-27H;1-25H;1-21H.
What are the key properties of 2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole?
2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole has a molecular weight of 2070.53 g/mol, XLogP of 38.27, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4,9-diphenylpyrimido[4,5-b]indole;2-(3-naphthalen-2-ylphenyl)-4,9-diphenylpyrimido[4,5-b]indole;9-phenyl-2,4-bis(2-phenylphenyl)pyrimido[4,5-b]indole;9-phenyl-2-(2-phenylphenyl)-4-(3-phenylphenyl)pyrimido[4,5-b]indole is sourced from PubChem (CID 158756135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).