14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide

C40H26NOP — CID 121310905

IUPAC14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide
SMILESO=P1(c2ccccc2)c2cc3ccccc3cc2-c2c1ccc1c3ccccc3n(-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C40H26NOP/c42-43(32-18-5-2-6-19-32)37-23-22-34-33-20-9-10-21-36(33)41(31-17-11-16-28(24-31)27-12-3-1-4-13-27)40(34)39(37)35-25-29-14-7-8-15-30(29)26-38(35)43/h1-26H
InChIKeyNUUNTCRSTVLXCW-UHFFFAOYSA-N
MW567.63 g/mol
LogP9.22
Rot. Bonds3

About 14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide

14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide (PubChem CID 121310905) has the molecular formula C40H26NOP and a molecular weight of 567.63 g/mol. Its IUPAC name is 14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide.

Molecular Properties

Compound Name14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide
PubChem CID121310905
Molecular FormulaC40H26NOP
Molecular Weight567.63 g/mol
Exact Mass567.18
IUPAC Name14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide
SMILESO=P1(c2ccccc2)c2cc3ccccc3cc2-c2c1ccc1c3ccccc3n(-c3cccc(-c4ccccc4)c3)c21
InChIInChI=1S/C40H26NOP/c42-43(32-18-5-2-6-19-32)37-23-22-34-33-20-9-10-21-36(33)41(31-17-11-16-28(24-31)27-12-3-1-4-13-27)40(34)39(37)35-25-29-14-7-8-15-30(29)26-38(35)43/h1-26H
InChIKeyNUUNTCRSTVLXCW-UHFFFAOYSA-N
XLogP9.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide with MolForge

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Related Compounds

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3-(3-carbazol-9-ylphenyl)-6,14-diphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599594
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CID 121310859
12-(9,9-dimethyl-6-phenylfluoren-3-yl)-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310803
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CID 134444525
6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599609
N-[4-[4-(5-oxo-5-phenylphosphindolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 121310892
N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaen-22-yl)phenyl]-N,4-diphenylaniline;N-[4-(12-oxo-12-phenyl-22-aza-12λ5-phosphahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-22-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157114460
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
5-phenyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[3,2-a]carbazole 5-oxide
CID 121310791
1-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole
CID 137466576

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide?
The IUPAC name of 14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide (CID 121310905) is 14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide.
What is the SMILES notation for 14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide?
The canonical SMILES for 14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide is O=P1(c2ccccc2)c2cc3ccccc3cc2-c2c1ccc1c3ccccc3n(-c3cccc(-c4ccccc4)c3)c21.
What is the InChIKey of 14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide?
The InChIKey is NUUNTCRSTVLXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26NOP/c42-43(32-18-5-2-6-19-32)37-23-22-34-33-20-9-10-21-36(33)41(31-17-11-16-28(24-31)27-12-3-1-4-13-27)40(34)39(37)35-25-29-14-7-8-15-30(29)26-38(35)43/h1-26H.
What are the key properties of 14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide?
14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide has a molecular weight of 567.63 g/mol, XLogP of 9.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-3-(3-phenylphenyl)-3-aza-14λ5-phosphahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaene 14-oxide is sourced from PubChem (CID 121310905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).