10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene

C40H26NOP — CID 118565034

IUPAC10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2cccc3cccc-4c23)cc1
InChIInChI=1S/C40H26NOP/c42-43(29-13-3-1-4-14-29,30-15-5-2-6-16-30)31-23-21-28(22-24-31)41-36-20-8-7-17-34(36)40-37(41)26-25-33-32-18-9-11-27-12-10-19-35(38(27)32)39(33)40/h1-26H
InChIKeyAMUBSIGRDKVTBV-UHFFFAOYSA-N
MW567.63 g/mol
LogP9.22
Rot. Bonds4

About 10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene

10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene (PubChem CID 118565034) has the molecular formula C40H26NOP and a molecular weight of 567.63 g/mol. Its IUPAC name is 10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
PubChem CID118565034
Molecular FormulaC40H26NOP
Molecular Weight567.63 g/mol
Exact Mass567.18
IUPAC Name10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2cccc3cccc-4c23)cc1
InChIInChI=1S/C40H26NOP/c42-43(29-13-3-1-4-14-29,30-15-5-2-6-16-30)31-23-21-28(22-24-31)41-36-20-8-7-17-34(36)40-37(41)26-25-33-32-18-9-11-27-12-10-19-35(38(27)32)39(33)40/h1-26H
InChIKeyAMUBSIGRDKVTBV-UHFFFAOYSA-N
XLogP9.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.63
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene with MolForge

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Related Compounds

4-(10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaen-10-yl)aniline
CID 144751191
10-(5-phenylbenzo[b]carbazol-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118565077
12-(4-diphenylphosphorylphenyl)-5-phenylindolo[3,2-c]carbazole
CID 58175572
10-[4-(4-phenylquinazolin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564966
4-[9-(4-phenylphenyl)carbazol-3-yl]-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118565132
4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118564873
10-(3-fluoranthen-3-ylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564953
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564899
23-[4-(10-phenylanthracen-9-yl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 155429764
9-(4-phenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
CID 129208210
9-(4-diphenylphosphorylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122516
23-[4-(4-carbazol-9-ylphenyl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497902

Frequently Asked Questions

What is the IUPAC name of 10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
The IUPAC name of 10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene (CID 118565034) is 10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene.
What is the SMILES notation for 10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
The canonical SMILES for 10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene is O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2cccc3cccc-4c23)cc1.
What is the InChIKey of 10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
The InChIKey is AMUBSIGRDKVTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26NOP/c42-43(29-13-3-1-4-14-29,30-15-5-2-6-16-30)31-23-21-28(22-24-31)41-36-20-8-7-17-34(36)40-37(41)26-25-33-32-18-9-11-27-12-10-19-35(38(27)32)39(33)40/h1-26H.
What are the key properties of 10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?
10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene has a molecular weight of 567.63 g/mol, XLogP of 9.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-diphenylphosphorylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene is sourced from PubChem (CID 118565034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).