[8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde

C33H25N3O2P2 — CID 158879608

IUPAC[8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde
SMILESO=CPc1cc2c([nH]1)-c1cc3ccc(-c4ccc5cc6c(cc5c4)CCc4[nH]c(PC=O)nc4-6)cc3cc1CC2
InChIInChI=1S/C33H25N3O2P2/c37-16-39-30-15-24-6-5-22-11-25-9-18(1-3-20(25)13-27(22)31(24)35-30)19-2-4-21-14-28-23(12-26(21)10-19)7-8-29-32(28)36-33(34-29)40-17-38/h1-4,9-17,35,39-40H,5-8H2,(H,34,36)
InChIKeyNNYAEIXVLSYAKU-UHFFFAOYSA-N
MW557.53 g/mol
LogP6.23
Rot. Bonds5

About [8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde

[8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde (PubChem CID 158879608) has the molecular formula C33H25N3O2P2 and a molecular weight of 557.53 g/mol. Its IUPAC name is [8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde.

Molecular Properties

Compound Name[8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde
PubChem CID158879608
Molecular FormulaC33H25N3O2P2
Molecular Weight557.53 g/mol
Exact Mass557.14
IUPAC Name[8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde
SMILESO=CPc1cc2c([nH]1)-c1cc3ccc(-c4ccc5cc6c(cc5c4)CCc4[nH]c(PC=O)nc4-6)cc3cc1CC2
InChIInChI=1S/C33H25N3O2P2/c37-16-39-30-15-24-6-5-22-11-25-9-18(1-3-20(25)13-27(22)31(24)35-30)19-2-4-21-14-28-23(12-26(21)10-19)7-8-29-32(28)36-33(34-29)40-17-38/h1-4,9-17,35,39-40H,5-8H2,(H,34,36)
InChIKeyNNYAEIXVLSYAKU-UHFFFAOYSA-N
XLogP6.23
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.53
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde?
The IUPAC name of [8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde (CID 158879608) is [8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde.
What is the SMILES notation for [8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde?
The canonical SMILES for [8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde is O=CPc1cc2c([nH]1)-c1cc3ccc(-c4ccc5cc6c(cc5c4)CCc4[nH]c(PC=O)nc4-6)cc3cc1CC2.
What is the InChIKey of [8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde?
The InChIKey is NNYAEIXVLSYAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O2P2/c37-16-39-30-15-24-6-5-22-11-25-9-18(1-3-20(25)13-27(22)31(24)35-30)19-2-4-21-14-28-23(12-26(21)10-19)7-8-29-32(28)36-33(34-29)40-17-38/h1-4,9-17,35,39-40H,5-8H2,(H,34,36).
What are the key properties of [8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde?
[8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde has a molecular weight of 557.53 g/mol, XLogP of 6.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2-formylphosphanyl-4,5-dihydro-3H-naphtho[2,3-e]benzimidazol-8-yl)-4,5-dihydro-1H-naphtho[2,3-g]indol-2-yl]phosphanylformaldehyde is sourced from PubChem (CID 158879608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).