1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole

C102H72N4 — CID 157183125

IUPAC1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole
SMILESCc1ccccc1-c1ccc(-n2c(-c3ccccc3)cc3cc4c(cc(-c5ccccc5)n4-c4ccc(-c5ccccc5C)cc4)cc32)cc1.c1ccc(-c2cc3cc4c(cc(-c5ccccc5)n4-c4ccc(-c5cccc6ccccc56)cc4)cc3n2-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C54H36N2.C48H36N2/c1-3-15-41(16-4-1)51-33-43-35-54-44(36-53(43)55(51)45-29-25-39(26-30-45)49-23-11-19-37-13-7-9-21-47(37)49)34-52(42-17-5-2-6-18-42)56(54)46-31-27-40(28-32-46)50-24-12-20-38-14-8-10-22-48(38)50;1-33-13-9-11-19-43(33)35-21-25-41(26-22-35)49-45(37-15-5-3-6-16-37)29-39-32-48-40(31-47(39)49)30-46(38-17-7-4-8-18-38)50(48)42-27-23-36(24-28-42)44-20-12-10-14-34(44)2/h1-36H;3-32H,1-2H3
InChIKeyAOUHIARWMGUWJD-UHFFFAOYSA-N
MW1353.73 g/mol
LogP27.41
Rot. Bonds12

About 1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole

1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole (PubChem CID 157183125) has the molecular formula C102H72N4 and a molecular weight of 1353.73 g/mol. Its IUPAC name is 1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole.

Molecular Properties

Compound Name1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole
PubChem CID157183125
Molecular FormulaC102H72N4
Molecular Weight1353.73 g/mol
Exact Mass1352.58
IUPAC Name1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole
SMILESCc1ccccc1-c1ccc(-n2c(-c3ccccc3)cc3cc4c(cc(-c5ccccc5)n4-c4ccc(-c5ccccc5C)cc4)cc32)cc1.c1ccc(-c2cc3cc4c(cc(-c5ccccc5)n4-c4ccc(-c5cccc6ccccc56)cc4)cc3n2-c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C54H36N2.C48H36N2/c1-3-15-41(16-4-1)51-33-43-35-54-44(36-53(43)55(51)45-29-25-39(26-30-45)49-23-11-19-37-13-7-9-21-47(37)49)34-52(42-17-5-2-6-18-42)56(54)46-31-27-40(28-32-46)50-24-12-20-38-14-8-10-22-48(38)50;1-33-13-9-11-19-43(33)35-21-25-41(26-22-35)49-45(37-15-5-3-6-16-37)29-39-32-48-40(31-47(39)49)30-46(38-17-7-4-8-18-38)50(48)42-27-23-36(24-28-42)44-20-12-10-14-34(44)2/h1-36H;3-32H,1-2H3
InChIKeyAOUHIARWMGUWJD-UHFFFAOYSA-N
XLogP27.41
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001353.73
LogP ≤ 527.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole with MolForge

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Related Compounds

4-N-[4-[2,6-bis(4-methylphenyl)-1-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;N-[4-[2,6-dinaphthalen-1-yl-1-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;N-[4-[2,6-dinaphthalen-2-yl-1-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine;4-N-[4-[2,6-diphenyl-1-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]pyrrolo[2,3-f]indol-5-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 159649458
2-(2-methylphenyl)-9-[4-[2-(2-methylphenyl)carbazol-9-yl]naphthalen-1-yl]carbazole;2-naphthalen-1-yl-9-[6-(2-naphthalen-1-ylcarbazol-9-yl)naphthalen-2-yl]carbazole;2-phenyl-9-[4-(2-phenylcarbazol-9-yl)naphthalen-1-yl]carbazole
CID 159193683
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708
5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole
CID 162025172
9-[3-(2-methylphenyl)phenyl]-7-phenylbenzo[c]carbazole
CID 90175676
11-naphthalen-2-yl-5-(4-naphthalen-1-ylphenyl)indolo[3,2-b]carbazole
CID 167029703
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
1-(4-methylphenyl)-2-naphthalen-1-ylindole
CID 177416658
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511
[4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane
CID 71016750
2-(3-carbazol-9-ylphenyl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 144560197

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole?
The IUPAC name of 1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole (CID 157183125) is 1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole.
What is the SMILES notation for 1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole?
The canonical SMILES for 1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole is Cc1ccccc1-c1ccc(-n2c(-c3ccccc3)cc3cc4c(cc(-c5ccccc5)n4-c4ccc(-c5ccccc5C)cc4)cc32)cc1.c1ccc(-c2cc3cc4c(cc(-c5ccccc5)n4-c4ccc(-c5cccc6ccccc56)cc4)cc3n2-c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole?
The InChIKey is AOUHIARWMGUWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2.C48H36N2/c1-3-15-41(16-4-1)51-33-43-35-54-44(36-53(43)55(51)45-29-25-39(26-30-45)49-23-11-19-37-13-7-9-21-47(37)49)34-52(42-17-5-2-6-18-42)56(54)46-31-27-40(28-32-46)50-24-12-20-38-14-8-10-22-48(38)50;1-33-13-9-11-19-43(33)35-21-25-41(26-22-35)49-45(37-15-5-3-6-16-37)29-39-32-48-40(31-47(39)49)30-46(38-17-7-4-8-18-38)50(48)42-27-23-36(24-28-42)44-20-12-10-14-34(44)2/h1-36H;3-32H,1-2H3.
What are the key properties of 1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole?
1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole has a molecular weight of 1353.73 g/mol, XLogP of 27.41, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole is sourced from PubChem (CID 157183125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).