1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole

C44H30N4 — CID 163770225

IUPAC1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c(-c4ccncc4)cc4ccc5cc(-c6ccncc6)n(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C44H30N4/c1-4-10-31(11-5-1)37-26-38(32-12-6-2-7-13-32)28-40(27-37)48-42(34-20-24-46-25-21-34)30-36-17-16-35-29-41(33-18-22-45-23-19-33)47(43(35)44(36)48)39-14-8-3-9-15-39/h1-30H
InChIKeyMFTXEMZEPJNRGD-UHFFFAOYSA-N
MW614.75 g/mol
LogP11.03
Rot. Bonds6

About 1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole

1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole (PubChem CID 163770225) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole.

Molecular Properties

Compound Name1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole
PubChem CID163770225
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c(-c4ccncc4)cc4ccc5cc(-c6ccncc6)n(-c6ccccc6)c5c43)c2)cc1
InChIInChI=1S/C44H30N4/c1-4-10-31(11-5-1)37-26-38(32-12-6-2-7-13-32)28-40(27-37)48-42(34-20-24-46-25-21-34)30-36-17-16-35-29-41(33-18-22-45-23-19-33)47(43(35)44(36)48)39-14-8-3-9-15-39/h1-30H
InChIKeyMFTXEMZEPJNRGD-UHFFFAOYSA-N
XLogP11.03
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 15193134
1,2-diphenyl-10H-pyrrolo[2,3-a]carbazole
CID 90090936
3,8,13-triphenyl-4,9,14-tris(4-pyridin-3-ylphenyl)-3,8,13-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 156756821
1,2-diphenyl-6-[2-phenyl-1-(4-phenylphenyl)indol-6-yl]indole
CID 71230374
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
1,2-diphenyl-10-(3-triphenylen-2-ylphenyl)pyrrolo[2,3-a]carbazole
CID 118315652
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 160825016
4-[4-(3-phenylphenyl)phenyl]pyridine
CID 58943522
3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-3-yl)-9-(3-phenyl-5-pyridin-4-ylphenyl)carbazole
CID 160846942
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
azane;4-phenylpyridine
CID 175775455
12,18-bis(3,5-diphenylphenyl)-15-pyridin-4-yl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 169073093

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole?
The IUPAC name of 1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole (CID 163770225) is 1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole.
What is the SMILES notation for 1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole?
The canonical SMILES for 1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c(-c4ccncc4)cc4ccc5cc(-c6ccncc6)n(-c6ccccc6)c5c43)c2)cc1.
What is the InChIKey of 1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole?
The InChIKey is MFTXEMZEPJNRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c1-4-10-31(11-5-1)37-26-38(32-12-6-2-7-13-32)28-40(27-37)48-42(34-20-24-46-25-21-34)30-36-17-16-35-29-41(33-18-22-45-23-19-33)47(43(35)44(36)48)39-14-8-3-9-15-39/h1-30H.
What are the key properties of 1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole?
1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole has a molecular weight of 614.75 g/mol, XLogP of 11.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole is sourced from PubChem (CID 163770225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).