14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

C32H24N2 — CID 142397357

IUPAC14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
SMILESC1=CC(c2cccc(N3c4ccccc4-c4ccccc4-n4c3cc3ccccc34)c2)=CCC1
InChIInChI=1S/C32H24N2/c1-2-11-23(12-3-1)24-14-10-15-26(21-24)33-30-19-8-5-16-27(30)28-17-6-9-20-31(28)34-29-18-7-4-13-25(29)22-32(33)34/h2,4-22H,1,3H2
InChIKeyQHBRWMSCQDJDNF-UHFFFAOYSA-N
MW436.56 g/mol
LogP8.81
Rot. Bonds2

About 14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (PubChem CID 142397357) has the molecular formula C32H24N2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.

Molecular Properties

Compound Name14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
PubChem CID142397357
Molecular FormulaC32H24N2
Molecular Weight436.56 g/mol
Exact Mass436.19
IUPAC Name14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
SMILESC1=CC(c2cccc(N3c4ccccc4-c4ccccc4-n4c3cc3ccccc34)c2)=CCC1
InChIInChI=1S/C32H24N2/c1-2-11-23(12-3-1)24-14-10-15-26(21-24)33-30-19-8-5-16-27(30)28-17-6-9-20-31(28)34-29-18-7-4-13-25(29)22-32(33)34/h2,4-22H,1,3H2
InChIKeyQHBRWMSCQDJDNF-UHFFFAOYSA-N
XLogP8.81
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene with MolForge

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Related Compounds

11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
CID 146390270
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
11-(9-phenyl-5,6-dihydrocarbazol-2-yl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene
CID 142397269
14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
CID 142397156
17-dibenzofuran-2-yl-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene;14-dibenzofuran-2-yl-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;11-(3-phenylphenyl)-2,11-diazahexacyclo[16.8.0.02,10.03,8.012,17.020,25]hexacosa-1(26),3,5,7,9,12,14,16,18,20,22,24-dodecaene;14-(3-phenylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
CID 161186597
14-(3-dibenzofuran-2-ylphenyl)-1,14-diazahexacyclo[13.11.0.02,7.08,13.017,26.020,25]hexacosa-2,4,6,8,10,12,15,17(26),18,20,22,24-dodecaene
CID 142397112
9-[3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381314
1-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)quinoxaline-2,3-dione
CID 122491735
17-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
CID 153452896
4-cyclohexa-1,5-dien-1-yl-N-[4-[4-[2-(1-naphthalen-1-yl-5-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166876376
3-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)-N-cyclohexa-1,5-dien-1-yl-N,5-diphenylaniline
CID 144990391
9-[9-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166988281

Frequently Asked Questions

What is the IUPAC name of 14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
The IUPAC name of 14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (CID 142397357) is 14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.
What is the SMILES notation for 14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
The canonical SMILES for 14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is C1=CC(c2cccc(N3c4ccccc4-c4ccccc4-n4c3cc3ccccc34)c2)=CCC1.
What is the InChIKey of 14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
The InChIKey is QHBRWMSCQDJDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2/c1-2-11-23(12-3-1)24-14-10-15-26(21-24)33-30-19-8-5-16-27(30)28-17-6-9-20-31(28)34-29-18-7-4-13-25(29)22-32(33)34/h2,4-22H,1,3H2.
What are the key properties of 14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?
14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene has a molecular weight of 436.56 g/mol, XLogP of 8.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(3-cyclohexa-1,5-dien-1-ylphenyl)-1,14-diazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is sourced from PubChem (CID 142397357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).