12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene

C38H24N2 — CID 130452310

IUPAC12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c5c6ccccc6c6ccccc6c5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C38H24N2/c1-3-13-25(14-4-1)39-34-22-12-11-19-29(34)32-23-24-33-35-30-20-9-7-17-27(30)28-18-8-10-21-31(28)36(35)40(38(33)37(32)39)26-15-5-2-6-16-26/h1-24H
InChIKeyWNBIZAIXNGWJKF-UHFFFAOYSA-N
MW508.62 g/mol
LogP10.19
Rot. Bonds2

About 12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene

12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene (PubChem CID 130452310) has the molecular formula C38H24N2 and a molecular weight of 508.62 g/mol. Its IUPAC name is 12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene.

Molecular Properties

Compound Name12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
PubChem CID130452310
Molecular FormulaC38H24N2
Molecular Weight508.62 g/mol
Exact Mass508.19
IUPAC Name12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c5c6ccccc6c6ccccc6c5n(-c5ccccc5)c4c32)cc1
InChIInChI=1S/C38H24N2/c1-3-13-25(14-4-1)39-34-22-12-11-19-29(34)32-23-24-33-35-30-20-9-7-17-27(30)28-18-8-10-21-31(28)36(35)40(38(33)37(32)39)26-15-5-2-6-16-26/h1-24H
InChIKeyWNBIZAIXNGWJKF-UHFFFAOYSA-N
XLogP10.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene with MolForge

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Related Compounds

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CID 126720171
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
25-(3-carbazol-9-ylphenyl)-12-phenyl-12,25-diazaheptacyclo[15.11.0.02,14.05,13.06,11.018,26.019,24]octacosa-1(17),2(14),3,5(13),6,8,10,15,18(26),19,21,23,27-tridecaene
CID 142290041

Frequently Asked Questions

What is the IUPAC name of 12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene?
The IUPAC name of 12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene (CID 130452310) is 12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene.
What is the SMILES notation for 12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene?
The canonical SMILES for 12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene is c1ccc(-n2c3ccccc3c3ccc4c5c6ccccc6c6ccccc6c5n(-c5ccccc5)c4c32)cc1.
What is the InChIKey of 12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene?
The InChIKey is WNBIZAIXNGWJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2/c1-3-13-25(14-4-1)39-34-22-12-11-19-29(34)32-23-24-33-35-30-20-9-7-17-27(30)28-18-8-10-21-31(28)36(35)40(38(33)37(32)39)26-15-5-2-6-16-26/h1-24H.
What are the key properties of 12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene?
12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene has a molecular weight of 508.62 g/mol, XLogP of 10.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene is sourced from PubChem (CID 130452310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).