1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole

C64H44N6 — CID 71016751

IUPAC1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-n4c(-c5ccccc5)cc5cc6c(cc(-c7ccccc7)n6-c6ccc(-n7nc(-c8ccccc8)cc7-c7ccccc7)cc6)cc54)cc3)n2)cc1
InChIInChI=1S/C64H44N6/c1-7-19-45(20-8-1)57-43-63(49-27-15-5-16-28-49)69(65-57)55-35-31-53(32-36-55)67-59(47-23-11-3-12-24-47)39-51-42-62-52(41-61(51)67)40-60(48-25-13-4-14-26-48)68(62)54-33-37-56(38-34-54)70-64(50-29-17-6-18-30-50)44-58(66-70)46-21-9-2-10-22-46/h1-44H
InChIKeyQCAJBZHVPOEBGO-UHFFFAOYSA-N
MW897.10 g/mol
LogP15.95
Rot. Bonds10

About 1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole

1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole (PubChem CID 71016751) has the molecular formula C64H44N6 and a molecular weight of 897.10 g/mol. Its IUPAC name is 1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole.

Molecular Properties

Compound Name1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole
PubChem CID71016751
Molecular FormulaC64H44N6
Molecular Weight897.10 g/mol
Exact Mass896.36
IUPAC Name1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole
SMILESc1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-n4c(-c5ccccc5)cc5cc6c(cc(-c7ccccc7)n6-c6ccc(-n7nc(-c8ccccc8)cc7-c7ccccc7)cc6)cc54)cc3)n2)cc1
InChIInChI=1S/C64H44N6/c1-7-19-45(20-8-1)57-43-63(49-27-15-5-16-28-49)69(65-57)55-35-31-53(32-36-55)67-59(47-23-11-3-12-24-47)39-51-42-62-52(41-61(51)67)40-60(48-25-13-4-14-26-48)68(62)54-33-37-56(38-34-54)70-64(50-29-17-6-18-30-50)44-58(66-70)46-21-9-2-10-22-46/h1-44H
InChIKeyQCAJBZHVPOEBGO-UHFFFAOYSA-N
XLogP15.95
TPSA45.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.10
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-triphenylpyrazole
CID 626614
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
4-[1-(4-aminophenyl)-3-phenylpyrazol-5-yl]aniline
CID 71342425
9-[4-[3-(4-methylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]phenyl]carbazole
CID 59499994
9-[4-[2-[2-[4-[3,5-bis(4-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501257
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline
CID 59500037
9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]-3,6-dinaphthalen-1-ylcarbazole
CID 59501166
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623
3-(3,5-dimethylphenyl)-9-[4-(3,5-diphenylpyrazol-1-yl)phenyl]carbazole
CID 59499912
5-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-6,7,8,9,10,11-hexahydrocycloocta[b]indole
CID 58663550
3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501357
9-[4-[2-[2-[4-[3-phenyl-5-(2-phenylphenyl)pyrazol-1-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501204

Frequently Asked Questions

What is the IUPAC name of 1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole?
The IUPAC name of 1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole (CID 71016751) is 1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole.
What is the SMILES notation for 1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole?
The canonical SMILES for 1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole is c1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-n4c(-c5ccccc5)cc5cc6c(cc(-c7ccccc7)n6-c6ccc(-n7nc(-c8ccccc8)cc7-c7ccccc7)cc6)cc54)cc3)n2)cc1.
What is the InChIKey of 1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole?
The InChIKey is QCAJBZHVPOEBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N6/c1-7-19-45(20-8-1)57-43-63(49-27-15-5-16-28-49)69(65-57)55-35-31-53(32-36-55)67-59(47-23-11-3-12-24-47)39-51-42-62-52(41-61(51)67)40-60(48-25-13-4-14-26-48)68(62)54-33-37-56(38-34-54)70-64(50-29-17-6-18-30-50)44-58(66-70)46-21-9-2-10-22-46/h1-44H.
What are the key properties of 1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole?
1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole has a molecular weight of 897.10 g/mol, XLogP of 15.95, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole is sourced from PubChem (CID 71016751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).