ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate

C59H72FN9O5P2 — CID 91204302

IUPACethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
SMILESCC.CC.CC.CC.CC.CCN(CC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)N5CCc6c5ccc5[nH]c(C(=O)OPPF)cc65)cc43)cc21)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C49H42FN9O5P2.5C2H6/c1-2-56(30-10-8-29(9-11-30)55-54-28-6-4-3-5-7-28)27-46(60)57-21-18-31-34-24-40(51-37(34)12-15-43(31)57)47(61)58-22-19-32-35-25-41(52-38(35)13-16-44(32)58)48(62)59-23-20-33-36-26-42(49(63)64-66-65-50)53-39(36)14-17-45(33)59;5*1-2/h3-17,24-26,51-53,65-66H,2,18-23,27H2,1H3;5*1-2H3/b55-54+;;;;;
InChIKeyPGXNHDYERUDAEI-CEDIIWGWSA-N
MW1068.23 g/mol
LogP15.73
Rot. Bonds11

About ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate

ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate (PubChem CID 91204302) has the molecular formula C59H72FN9O5P2 and a molecular weight of 1068.23 g/mol. Its IUPAC name is ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate.

Molecular Properties

Compound Nameethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
PubChem CID91204302
Molecular FormulaC59H72FN9O5P2
Molecular Weight1068.23 g/mol
Exact Mass1067.51
IUPAC Nameethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
SMILESCC.CC.CC.CC.CC.CCN(CC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)N5CCc6c5ccc5[nH]c(C(=O)OPPF)cc65)cc43)cc21)c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C49H42FN9O5P2.5C2H6/c1-2-56(30-10-8-29(9-11-30)55-54-28-6-4-3-5-7-28)27-46(60)57-21-18-31-34-24-40(51-37(34)12-15-43(31)57)47(61)58-22-19-32-35-25-41(52-38(35)13-16-44(32)58)48(62)59-23-20-33-36-26-42(49(63)64-66-65-50)53-39(36)14-17-45(33)59;5*1-2/h3-17,24-26,51-53,65-66H,2,18-23,27H2,1H3;5*1-2H3/b55-54+;;;;;
InChIKeyPGXNHDYERUDAEI-CEDIIWGWSA-N
XLogP15.73
TPSA162.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001068.23
LogP ≤ 515.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate with MolForge

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Related Compounds

(2,3,5,6-tetrafluorophenyl) 6-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 15480265
methyl 6-[6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 10483430
methyl 6-[6-[6-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;(2,3,5,6-tetrafluorophenyl) 6-[6-[6-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 159068726
[[6-[6-[6-(2-aminoacetyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]amino]methoxy-methylphosphinic acid
CID 58922260
N-[3-(4-amino-N-pentylanilino)propyl]-6-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxamide
CID 145169160
(2,3,5,6-tetrafluorophenyl) 6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 15480264
(N-ethyl-4-phenyldiazenylanilino)methanol
CID 59882366
1-(6-ethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl)ethanone
CID 54141257
7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl(3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)methanone
CID 175705264
2-methyl-1-[6-(2-methylpropanoyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
CID 20681379
2-formyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide;1-[6-(6-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indol-2-yl]propan-1-one
CID 145169161
N-(6-carbamoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl)carbamate;1-propoxypropane
CID 54415851

Frequently Asked Questions

What is the IUPAC name of ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?
The IUPAC name of ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate (CID 91204302) is ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate.
What is the SMILES notation for ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?
The canonical SMILES for ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate is CC.CC.CC.CC.CC.CCN(CC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)N5CCc6c5ccc5[nH]c(C(=O)OPPF)cc65)cc43)cc21)c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?
The InChIKey is PGXNHDYERUDAEI-CEDIIWGWSA-N. The full InChI is InChI=1S/C49H42FN9O5P2.5C2H6/c1-2-56(30-10-8-29(9-11-30)55-54-28-6-4-3-5-7-28)27-46(60)57-21-18-31-34-24-40(51-37(34)12-15-43(31)57)47(61)58-22-19-32-35-25-41(52-38(35)13-16-44(32)58)48(62)59-23-20-33-36-26-42(49(63)64-66-65-50)53-39(36)14-17-45(33)59;5*1-2/h3-17,24-26,51-53,65-66H,2,18-23,27H2,1H3;5*1-2H3/b55-54+;;;;;.
What are the key properties of ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate?
ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate has a molecular weight of 1068.23 g/mol, XLogP of 15.73, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-fluorodiphosphanyl) 6-[6-[6-[2-(N-ethyl-4-phenyldiazenylanilino)acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate is sourced from PubChem (CID 91204302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).