1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole

C70H50N2 — CID 88909064

IUPAC1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole
SMILESC1=C(c2ccccc2)CCC(c2cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3n2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=C1
InChIInChI=1S/C70H50N2/c1-7-19-49(20-8-1)55-31-35-57(36-32-55)67-45-63-47-70-64(48-69(63)71(67)65-41-59(51-23-11-3-12-24-51)39-60(42-65)52-25-13-4-14-26-52)46-68(58-37-33-56(34-38-58)50-21-9-2-10-22-50)72(70)66-43-61(53-27-15-5-16-28-53)40-62(44-66)54-29-17-6-18-30-54/h1-33,35-37,39-48H,34,38H2
InChIKeyQMAKMVNUIXESGH-UHFFFAOYSA-N
MW919.18 g/mol
LogP18.84
Rot. Bonds10

About 1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole

1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole (PubChem CID 88909064) has the molecular formula C70H50N2 and a molecular weight of 919.18 g/mol. Its IUPAC name is 1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole.

Molecular Properties

Compound Name1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole
PubChem CID88909064
Molecular FormulaC70H50N2
Molecular Weight919.18 g/mol
Exact Mass918.40
IUPAC Name1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole
SMILESC1=C(c2ccccc2)CCC(c2cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3n2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=C1
InChIInChI=1S/C70H50N2/c1-7-19-49(20-8-1)55-31-35-57(36-32-55)67-45-63-47-70-64(48-69(63)71(67)65-41-59(51-23-11-3-12-24-51)39-60(42-65)52-25-13-4-14-26-52)46-68(58-37-33-56(34-38-58)50-21-9-2-10-22-50)72(70)66-43-61(53-27-15-5-16-28-53)40-62(44-66)54-29-17-6-18-30-54/h1-33,35-37,39-48H,34,38H2
InChIKeyQMAKMVNUIXESGH-UHFFFAOYSA-N
XLogP18.84
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.18
LogP ≤ 518.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diphenyl-6-[2-phenyl-1-(4-phenylphenyl)indol-6-yl]indole
CID 71230374
[4-[1-(4-methylphenyl)-2,6-bis(4-phenylphenyl)pyrrolo[2,3-f]indol-5-yl]phenyl]phosphane
CID 71016750
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
1-(3,5-diphenylphenyl)-8-phenyl-2,7-dipyridin-4-ylpyrrolo[3,2-g]indole
CID 163770225
1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole
CID 71016751
11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
CID 130184198
3-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]-9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazole
CID 157108405

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole?
The IUPAC name of 1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole (CID 88909064) is 1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole.
What is the SMILES notation for 1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole?
The canonical SMILES for 1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole is C1=C(c2ccccc2)CCC(c2cc3cc4c(cc(-c5ccc(-c6ccccc6)cc5)n4-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3n2-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)=C1.
What is the InChIKey of 1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole?
The InChIKey is QMAKMVNUIXESGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N2/c1-7-19-49(20-8-1)55-31-35-57(36-32-55)67-45-63-47-70-64(48-69(63)71(67)65-41-59(51-23-11-3-12-24-51)39-60(42-65)52-25-13-4-14-26-52)46-68(58-37-33-56(34-38-58)50-21-9-2-10-22-50)72(70)66-43-61(53-27-15-5-16-28-53)40-62(44-66)54-29-17-6-18-30-54/h1-33,35-37,39-48H,34,38H2.
What are the key properties of 1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole?
1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole has a molecular weight of 919.18 g/mol, XLogP of 18.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(3,5-diphenylphenyl)-2-(4-phenylcyclohexa-1,3-dien-1-yl)-6-(4-phenylphenyl)pyrrolo[2,3-f]indole is sourced from PubChem (CID 88909064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).