7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene

C26H20N2 — CID 71813180

IUPAC7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene
SMILESc1ccc(-c2c3c(n4c(nc5ccccc54)c2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C26H20N2/c1-3-10-18(11-4-1)24-20-14-9-17-22(20)28-23-16-8-7-15-21(23)27-26(28)25(24)19-12-5-2-6-13-19/h1-8,10-13,15-16H,9,14,17H2
InChIKeyDUCGCWSZGWSYQS-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.31
Rot. Bonds2

About 7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene

7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene (PubChem CID 71813180) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene.

Molecular Properties

Compound Name7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene
PubChem CID71813180
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene
SMILESc1ccc(-c2c3c(n4c(nc5ccccc54)c2-c2ccccc2)CCC3)cc1
InChIInChI=1S/C26H20N2/c1-3-10-18(11-4-1)24-20-14-9-17-22(20)28-23-16-8-7-15-21(23)27-26(28)25(24)19-12-5-2-6-13-19/h1-8,10-13,15-16H,9,14,17H2
InChIKeyDUCGCWSZGWSYQS-UHFFFAOYSA-N
XLogP6.31
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-(10-phenylanthracen-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037532
5-(4-chlorophenyl)-4-oxo-2,3-dihydro-1H-benzimidazolo[1,2-a]quinoline-6-carbonitrile
CID 135029459
5-(4-bromophenyl)-4-oxo-2,3-dihydro-1H-benzimidazolo[1,2-a]quinoline-6-carbonitrile
CID 135029461
16-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
CID 2815932
10-(11-phenyltetracen-5-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58037765
16-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
CID 743363
25-phenyl-3,10,17-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11,13,15,19,21,23-undecaen-18-one
CID 165126070
16-(4-phenylpiperazin-1-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
CID 71274939
2-(9,10-diphenylanthracen-2-yl)-6-methylbenzimidazolo[1,2-c]quinazoline
CID 129257054
25-phenyl-2,9,17-triazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11,13,15,19,21,23-undecaen-18-one
CID 165126176
(9R)-9-methyl-11-phenyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CID 99805305
(9S)-9-methyl-11-phenyl-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile
CID 99805306

Frequently Asked Questions

What is the IUPAC name of 7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene?
The IUPAC name of 7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene (CID 71813180) is 7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene.
What is the SMILES notation for 7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene?
The canonical SMILES for 7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene is c1ccc(-c2c3c(n4c(nc5ccccc54)c2-c2ccccc2)CCC3)cc1.
What is the InChIKey of 7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene?
The InChIKey is DUCGCWSZGWSYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-3-10-18(11-4-1)24-20-14-9-17-22(20)28-23-16-8-7-15-21(23)27-26(28)25(24)19-12-5-2-6-13-19/h1-8,10-13,15-16H,9,14,17H2.
What are the key properties of 7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene?
7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene has a molecular weight of 360.46 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-diphenyl-1,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene is sourced from PubChem (CID 71813180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).