(2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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

C69H56ClFN10O10P2 — CID 20723772

IUPAC(2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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
SMILESCOc1ccc(C(OCN(CC(=O)N2CCc3c2ccc2[nH]c(C(=O)N4CCc5c4ccc4[nH]c(C(=O)N6CCc7c6ccc6[nH]c(C(=O)OPPF)cc76)cc54)cc32)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3Cl)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C69H56ClFN10O10P2/c1-88-46-17-8-41(9-18-46)69(40-6-4-3-5-7-40,42-10-19-47(89-2)20-11-42)90-39-77(44-14-12-43(13-15-44)75-76-58-21-16-45(81(86)87)34-54(58)70)38-65(82)78-31-28-48-51-35-59(72-55(51)22-25-62(48)78)66(83)79-32-29-49-52-36-60(73-56(52)23-26-63(49)79)67(84)80-33-30-50-53-37-61(68(85)91-93-92-71)74-57(53)24-27-64(50)80/h3-27,34-37,72-74,92-93H,28-33,38-39H2,1-2H3/b76-75+
InChIKeyUJEUAMBVTJSSSA-ZMFPCWMMSA-N
MW1301.67 g/mol
LogP15.12
Rot. Bonds19

About (2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 20723772) has the molecular formula C69H56ClFN10O10P2 and a molecular weight of 1301.67 g/mol. Its IUPAC name is (2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 Name(2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 CID20723772
Molecular FormulaC69H56ClFN10O10P2
Molecular Weight1301.67 g/mol
Exact Mass1300.33
IUPAC Name(2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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
SMILESCOc1ccc(C(OCN(CC(=O)N2CCc3c2ccc2[nH]c(C(=O)N4CCc5c4ccc4[nH]c(C(=O)N6CCc7c6ccc6[nH]c(C(=O)OPPF)cc76)cc54)cc32)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3Cl)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C69H56ClFN10O10P2/c1-88-46-17-8-41(9-18-46)69(40-6-4-3-5-7-40,42-10-19-47(89-2)20-11-42)90-39-77(44-14-12-43(13-15-44)75-76-58-21-16-45(81(86)87)34-54(58)70)38-65(82)78-31-28-48-51-35-59(72-55(51)22-25-62(48)78)66(83)79-32-29-49-52-36-60(73-56(52)23-26-63(49)79)67(84)80-33-30-50-53-37-61(68(85)91-93-92-71)74-57(53)24-27-64(50)80/h3-27,34-37,72-74,92-93H,28-33,38-39H2,1-2H3/b76-75+
InChIKeyUJEUAMBVTJSSSA-ZMFPCWMMSA-N
XLogP15.12
TPSA233.39 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001301.67
LogP ≤ 515.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze (2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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

[fluoro(phosphanyl)phosphanyl] 7-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-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]-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
CID 20605772
[fluoro(phosphanyl)phosphanyl] 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-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 20605774
[fluoro(phosphanyl)phosphanyl] 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 20605775
[fluoro(phosphanyl)phosphanyl] 6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-phenyldiazenylanilino]acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 20605777
[fluoro(phosphanyl)phosphanyl] 6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 20605778
(2,3,4,5,6-pentafluorophenyl) 6-[4-[N-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]butanoyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 22672519
(2,3,4,5,6-pentafluorophenyl) 6-[6-[6-[4-[N-[3-[bis(4-methoxyphenyl)-phenylmethoxy]propyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]butanoyl]-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 22725947
[fluoro(phosphanyl)phosphanyl] 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]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 58774077
[fluoro(phosphanyl)phosphanyl] 6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]anilino]acetyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate
CID 58774079
[fluoro(phosphanyl)phosphanyl] 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(methyldiazenyl)anilino]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 58774081
(2-fluorodiphosphanyl) 6-[6-[6-[3-[4-[(2-chloro-4-methylphenyl)diazenyl]phenyl]pentanoyl]-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 59882364
[fluoro(phosphanyl)phosphanyl] 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-phenyldiazenylanilino]acetyl]-2,3,7,8-tetrahydro-1H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-2,3,7,8-tetrahydro-1H-pyrrolo[3,2-e]indole-2-carboxylate
CID 60113967

Frequently Asked Questions

What is the IUPAC name of (2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 (2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 20723772) is (2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 (2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 (2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 COc1ccc(C(OCN(CC(=O)N2CCc3c2ccc2[nH]c(C(=O)N4CCc5c4ccc4[nH]c(C(=O)N6CCc7c6ccc6[nH]c(C(=O)OPPF)cc76)cc54)cc32)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3Cl)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 UJEUAMBVTJSSSA-ZMFPCWMMSA-N. The full InChI is InChI=1S/C69H56ClFN10O10P2/c1-88-46-17-8-41(9-18-46)69(40-6-4-3-5-7-40,42-10-19-47(89-2)20-11-42)90-39-77(44-14-12-43(13-15-44)75-76-58-21-16-45(81(86)87)34-54(58)70)38-65(82)78-31-28-48-51-35-59(72-55(51)22-25-62(48)78)66(83)79-32-29-49-52-36-60(73-56(52)23-26-63(49)79)67(84)80-33-30-50-53-37-61(68(85)91-93-92-71)74-57(53)24-27-64(50)80/h3-27,34-37,72-74,92-93H,28-33,38-39H2,1-2H3/b76-75+.
What are the key properties of (2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 1301.67 g/mol, XLogP of 15.12, 19 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorodiphosphanyl) 6-[6-[6-[2-[N-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]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 20723772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).