23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene

C42H27N — CID 89417795

IUPAC23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)c3ccccc3n5-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H27N/c1-3-11-28(12-4-1)29-19-21-30(22-20-29)31-23-24-35-37(25-31)33-15-7-8-16-34(33)39-27-42-40(26-38(35)39)36-17-9-10-18-41(36)43(42)32-13-5-2-6-14-32/h1-27H
InChIKeyAIFIEYGGDNSMMD-UHFFFAOYSA-N
MW545.69 g/mol
LogP11.58
Rot. Bonds3

About 23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene

23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene (PubChem CID 89417795) has the molecular formula C42H27N and a molecular weight of 545.69 g/mol. Its IUPAC name is 23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene.

Molecular Properties

Compound Name23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
PubChem CID89417795
Molecular FormulaC42H27N
Molecular Weight545.69 g/mol
Exact Mass545.21
IUPAC Name23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)c3ccccc3n5-c3ccccc3)cc2)cc1
InChIInChI=1S/C42H27N/c1-3-11-28(12-4-1)29-19-21-30(22-20-29)31-23-24-35-37(25-31)33-15-7-8-16-34(33)39-27-42-40(26-38(35)39)36-17-9-10-18-41(36)43(42)32-13-5-2-6-14-32/h1-27H
InChIKeyAIFIEYGGDNSMMD-UHFFFAOYSA-N
XLogP11.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.69
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene with MolForge

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Related Compounds

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9-phenyl-3-[4-(3-triphenylen-2-ylcarbazol-9-yl)phenyl]carbazole
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9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
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6,9-diphenyl-2-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 122492360
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole
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3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
3-(4-carbazol-9-ylphenyl)-5,11-diphenylindolo[3,2-b]carbazole
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5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573

Frequently Asked Questions

What is the IUPAC name of 23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
The IUPAC name of 23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene (CID 89417795) is 23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene.
What is the SMILES notation for 23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
The canonical SMILES for 23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene is c1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3c3cc5c(cc43)c3ccccc3n5-c3ccccc3)cc2)cc1.
What is the InChIKey of 23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
The InChIKey is AIFIEYGGDNSMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N/c1-3-11-28(12-4-1)29-19-21-30(22-20-29)31-23-24-35-37(25-31)33-15-7-8-16-34(33)39-27-42-40(26-38(35)39)36-17-9-10-18-41(36)43(42)32-13-5-2-6-14-32/h1-27H.
What are the key properties of 23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene?
23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene has a molecular weight of 545.69 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene is sourced from PubChem (CID 89417795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).