2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole

C62H60N6 — CID 173170192

IUPAC2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole
SMILESCN1c2cc3c(cc2C(C)(C)C1C=Cc1ccc(N2N=C(c4ccccc4)CC2c2ccccc2)cc1)N(C)C(C=Cc1ccc(N2N=C(c4ccccc4)CC2c2ccccc2)cc1)C3(C)C
InChIInChI=1S/C62H60N6/c1-61(2)51-39-58-52(40-57(51)65(5)59(61)37-31-43-27-33-49(34-28-43)67-55(47-23-15-9-16-24-47)41-53(63-67)45-19-11-7-12-20-45)62(3,4)60(66(58)6)38-32-44-29-35-50(36-30-44)68-56(48-25-17-10-18-26-48)42-54(64-68)46-21-13-8-14-22-46/h7-40,55-56,59-60H,41-42H2,1-6H3
InChIKeyCWMTXFVZWZGABP-UHFFFAOYSA-N
MW889.20 g/mol
LogP14.02
Rot. Bonds10

About 2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole

2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole (PubChem CID 173170192) has the molecular formula C62H60N6 and a molecular weight of 889.20 g/mol. Its IUPAC name is 2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole.

Molecular Properties

Compound Name2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole
PubChem CID173170192
Molecular FormulaC62H60N6
Molecular Weight889.20 g/mol
Exact Mass888.49
IUPAC Name2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole
SMILESCN1c2cc3c(cc2C(C)(C)C1C=Cc1ccc(N2N=C(c4ccccc4)CC2c2ccccc2)cc1)N(C)C(C=Cc1ccc(N2N=C(c4ccccc4)CC2c2ccccc2)cc1)C3(C)C
InChIInChI=1S/C62H60N6/c1-61(2)51-39-58-52(40-57(51)65(5)59(61)37-31-43-27-33-49(34-28-43)67-55(47-23-15-9-16-24-47)41-53(63-67)45-19-11-7-12-20-45)62(3,4)60(66(58)6)38-32-44-29-35-50(36-30-44)68-56(48-25-17-10-18-26-48)42-54(64-68)46-21-13-8-14-22-46/h7-40,55-56,59-60H,41-42H2,1-6H3
InChIKeyCWMTXFVZWZGABP-UHFFFAOYSA-N
XLogP14.02
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.20
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole?
The IUPAC name of 2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole (CID 173170192) is 2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole.
What is the SMILES notation for 2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole?
The canonical SMILES for 2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole is CN1c2cc3c(cc2C(C)(C)C1C=Cc1ccc(N2N=C(c4ccccc4)CC2c2ccccc2)cc1)N(C)C(C=Cc1ccc(N2N=C(c4ccccc4)CC2c2ccccc2)cc1)C3(C)C.
What is the InChIKey of 2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole?
The InChIKey is CWMTXFVZWZGABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H60N6/c1-61(2)51-39-58-52(40-57(51)65(5)59(61)37-31-43-27-33-49(34-28-43)67-55(47-23-15-9-16-24-47)41-53(63-67)45-19-11-7-12-20-45)62(3,4)60(66(58)6)38-32-44-29-35-50(36-30-44)68-56(48-25-17-10-18-26-48)42-54(64-68)46-21-13-8-14-22-46/h7-40,55-56,59-60H,41-42H2,1-6H3.
What are the key properties of 2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole?
2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole has a molecular weight of 889.20 g/mol, XLogP of 14.02, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]ethenyl]-1,3,3,5,7,7-hexamethyl-2,6-dihydropyrrolo[2,3-f]indole is sourced from PubChem (CID 173170192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).