N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide

C54H52N6O4 — CID 11636463

IUPACN-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide
SMILESCn1ccc2c(-c3ccccc3)c3c(cc21)C(C(=O)NC1CCCCC1)N(c1ccc(N2C(=O)c4c(cc5c(ccn5C)c4-c4ccccc4)C2C(=O)NC2CCCCC2)cc1)C3=O
InChIInChI=1S/C54H52N6O4/c1-57-29-27-39-43(57)31-41-47(45(39)33-15-7-3-8-16-33)53(63)59(49(41)51(61)55-35-19-11-5-12-20-35)37-23-25-38(26-24-37)60-50(52(62)56-36-21-13-6-14-22-36)42-32-44-40(28-30-58(44)2)46(48(42)54(60)64)34-17-9-4-10-18-34/h3-4,7-10,15-18,23-32,35-36,49-50H,5-6,11-14,19-22H2,1-2H3,(H,55,61)(H,56,62)
InChIKeyRZJODFHULIWJQC-UHFFFAOYSA-N
MW849.05 g/mol
LogP10.30
Rot. Bonds8

About N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide

N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide (PubChem CID 11636463) has the molecular formula C54H52N6O4 and a molecular weight of 849.05 g/mol. Its IUPAC name is N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide
PubChem CID11636463
Molecular FormulaC54H52N6O4
Molecular Weight849.05 g/mol
Exact Mass848.41
IUPAC NameN-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide
SMILESCn1ccc2c(-c3ccccc3)c3c(cc21)C(C(=O)NC1CCCCC1)N(c1ccc(N2C(=O)c4c(cc5c(ccn5C)c4-c4ccccc4)C2C(=O)NC2CCCCC2)cc1)C3=O
InChIInChI=1S/C54H52N6O4/c1-57-29-27-39-43(57)31-41-47(45(39)33-15-7-3-8-16-33)53(63)59(49(41)51(61)55-35-19-11-5-12-20-35)37-23-25-38(26-24-37)60-50(52(62)56-36-21-13-6-14-22-36)42-32-44-40(28-30-58(44)2)46(48(42)54(60)64)34-17-9-4-10-18-34/h3-4,7-10,15-18,23-32,35-36,49-50H,5-6,11-14,19-22H2,1-2H3,(H,55,61)(H,56,62)
InChIKeyRZJODFHULIWJQC-UHFFFAOYSA-N
XLogP10.30
TPSA108.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.05
LogP ≤ 510.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide with MolForge

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Related Compounds

Dirlotapide
CID 9917862
Indolocarbazole deriv. 3g
CID 5327854
Indolocarbazole deriv. 3h
CID 5327855
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3a
CID 5330719
3-Methyl-3H-indolo(6,7-a)pyrrolo(3,4-c)carbazole-4,6(5H,11H)-dione
CID 5330720
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3c
CID 5330721
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3k
CID 5330729
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3q
CID 5330735
9-Ethyl-3-methyl-3H-indolo[6,7-a]pyrrolo[3,4-c]carbazole-4,6(5H,11H)-dione
CID 5330736
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3dd
CID 5330748
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3pp
CID 5330760
Indolocarbazole deriv. 13b
CID 5330775

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide?
The IUPAC name of N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide (CID 11636463) is N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide is Cn1ccc2c(-c3ccccc3)c3c(cc21)C(C(=O)NC1CCCCC1)N(c1ccc(N2C(=O)c4c(cc5c(ccn5C)c4-c4ccccc4)C2C(=O)NC2CCCCC2)cc1)C3=O.
What is the InChIKey of N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide?
The InChIKey is RZJODFHULIWJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H52N6O4/c1-57-29-27-39-43(57)31-41-47(45(39)33-15-7-3-8-16-33)53(63)59(49(41)51(61)55-35-19-11-5-12-20-35)37-23-25-38(26-24-37)60-50(52(62)56-36-21-13-6-14-22-36)42-32-44-40(28-30-58(44)2)46(48(42)54(60)64)34-17-9-4-10-18-34/h3-4,7-10,15-18,23-32,35-36,49-50H,5-6,11-14,19-22H2,1-2H3,(H,55,61)(H,56,62).
What are the key properties of N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide?
N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide has a molecular weight of 849.05 g/mol, XLogP of 10.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[4-[7-(cyclohexylcarbamoyl)-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indol-6-yl]phenyl]-1-methyl-5-oxo-4-phenyl-7H-pyrrolo[3,4-f]indole-7-carboxamide is sourced from PubChem (CID 11636463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).