10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene

C37H24N2 — CID 142294442

IUPAC10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene
SMILESC1=Cc2c(n(-c3ccccc3)c3cc4c(cc23)c2c3ccccc3c3ccccc3c2n4-c2ccccc2)C1
InChIInChI=1S/C37H24N2/c1-3-12-24(13-4-1)38-33-21-11-20-28(33)31-22-32-35(23-34(31)38)39(25-14-5-2-6-15-25)37-30-19-10-8-17-27(30)26-16-7-9-18-29(26)36(32)37/h1-20,22-23H,21H2
InChIKeyGWCSCRYNOWXRMM-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.60
Rot. Bonds2

About 10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene

10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene (PubChem CID 142294442) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene.

Molecular Properties

Compound Name10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene
PubChem CID142294442
Molecular FormulaC37H24N2
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC Name10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene
SMILESC1=Cc2c(n(-c3ccccc3)c3cc4c(cc23)c2c3ccccc3c3ccccc3c2n4-c2ccccc2)C1
InChIInChI=1S/C37H24N2/c1-3-12-24(13-4-1)38-33-21-11-20-28(33)31-22-32-35(23-34(31)38)39(25-14-5-2-6-15-25)37-30-19-10-8-17-27(30)26-16-7-9-18-29(26)36(32)37/h1-20,22-23H,21H2
InChIKeyGWCSCRYNOWXRMM-UHFFFAOYSA-N
XLogP9.60
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene with MolForge

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Related Compounds

10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene;ethane
CID 142294441
15-phenyl-15-azaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
CID 157214685
5-phenyl-2-(9-phenylcarbazol-3-yl)-6H-cyclohepta[b]indole
CID 123942675
9-[4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 118361345
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
24,24,27,27-tetramethyl-20-phenyl-16-[4-(3-phenylphenyl)phenyl]-16,20-diazaoctacyclo[15.15.0.02,15.03,8.09,14.019,31.021,30.023,28]dotriaconta-1(17),2(15),3,5,7,9,11,13,18,21,23(28),29,31-tridecaene
CID 177086695
5-bromo-16-phenyl-16-azahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene
CID 142712012
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;22-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2,4(12),5(10),6,13,16,18,20,23,25-undecaene
CID 158500793
15-phenyl-11-(7-phenylquinoxalin-6-yl)-11,15-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,25,27-tridecaene
CID 154952498
21-phenyl-18,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 144568642
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
27,27-dimethyl-23-phenyl-23-azanonacyclo[20.14.0.02,15.03,8.09,14.016,21.024,36.026,34.028,33]hexatriaconta-1(22),2(15),3,5,7,9,11,13,16,18,20,24,26(34),28,30,32,35-heptadecaene
CID 146982725

Frequently Asked Questions

What is the IUPAC name of 10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene?
The IUPAC name of 10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene (CID 142294442) is 10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene.
What is the SMILES notation for 10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene?
The canonical SMILES for 10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene is C1=Cc2c(n(-c3ccccc3)c3cc4c(cc23)c2c3ccccc3c3ccccc3c2n4-c2ccccc2)C1.
What is the InChIKey of 10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene?
The InChIKey is GWCSCRYNOWXRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c1-3-12-24(13-4-1)38-33-21-11-20-28(33)31-22-32-35(23-34(31)38)39(25-14-5-2-6-15-25)37-30-19-10-8-17-27(30)26-16-7-9-18-29(26)36(32)37/h1-20,22-23H,21H2.
What are the key properties of 10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene?
10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene has a molecular weight of 496.61 g/mol, XLogP of 9.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,14-diphenyl-10,14-diazaheptacyclo[13.12.0.02,13.04,11.05,9.016,21.022,27]heptacosa-1(15),2(13),3,5(9),6,11,16,18,20,22,24,26-dodecaene is sourced from PubChem (CID 142294442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).