4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline

C34H22NP — CID 143307767

IUPAC4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline
SMILESNc1ccc(-c2cc3c(cc2-c2ccc(P)cc2)c2cc4c5cc6ccccc6cc5c4cc32)cc1
InChIInChI=1S/C34H22NP/c35-23-9-5-19(6-10-23)25-15-29-30(16-26(25)20-7-11-24(36)12-8-20)34-18-32-28-14-22-4-2-1-3-21(22)13-27(28)31(32)17-33(29)34/h1-18H,35-36H2
InChIKeyJXMHLNSMKCIHMR-UHFFFAOYSA-N
MW475.53 g/mol
LogP8.74
Rot. Bonds2

About 4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline

4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline (PubChem CID 143307767) has the molecular formula C34H22NP and a molecular weight of 475.53 g/mol. Its IUPAC name is 4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline.

Molecular Properties

Compound Name4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline
PubChem CID143307767
Molecular FormulaC34H22NP
Molecular Weight475.53 g/mol
Exact Mass475.15
IUPAC Name4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline
SMILESNc1ccc(-c2cc3c(cc2-c2ccc(P)cc2)c2cc4c5cc6ccccc6cc5c4cc32)cc1
InChIInChI=1S/C34H22NP/c35-23-9-5-19(6-10-23)25-15-29-30(16-26(25)20-7-11-24(36)12-8-20)34-18-32-28-14-22-4-2-1-3-21(22)13-27(28)31(32)17-33(29)34/h1-18H,35-36H2
InChIKeyJXMHLNSMKCIHMR-UHFFFAOYSA-N
XLogP8.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.53
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline with MolForge

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Related Compounds

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4-(4-naphthalen-1-ylphenyl)-3-phenylaniline
CID 153294004
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CID 154335027
4-[4-[4-[4-(4-aminophenyl)-3,5-dinaphthalen-2-ylphenyl]phenyl]-2,6-dinaphthalen-2-ylphenyl]aniline
CID 100927234
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
benzo[a]anthracen-2-ylphosphane
CID 87972542
5-phenylnaphthalen-2-amine
CID 66729016
1,4-bis(2,4-diphenylphenyl)tetracene
CID 165170400
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CID 90757689

Frequently Asked Questions

What is the IUPAC name of 4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline?
The IUPAC name of 4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline (CID 143307767) is 4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline.
What is the SMILES notation for 4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline?
The canonical SMILES for 4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline is Nc1ccc(-c2cc3c(cc2-c2ccc(P)cc2)c2cc4c5cc6ccccc6cc5c4cc32)cc1.
What is the InChIKey of 4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline?
The InChIKey is JXMHLNSMKCIHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22NP/c35-23-9-5-19(6-10-23)25-15-29-30(16-26(25)20-7-11-24(36)12-8-20)34-18-32-28-14-22-4-2-1-3-21(22)13-27(28)31(32)17-33(29)34/h1-18H,35-36H2.
What are the key properties of 4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline?
4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline has a molecular weight of 475.53 g/mol, XLogP of 8.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[18-(4-phosphanylphenyl)-17-hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(22),2,4,6,8,10,12,14(21),15,17,19-undecaenyl]aniline is sourced from PubChem (CID 143307767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).