10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene

C33H22N2 — CID 121476066

IUPAC10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene
SMILESc1ccc(-c2nc3ccccc3c3c2C2CC3c3c(-c4ccccc4)nc4ccccc4c32)cc1
InChIInChI=1S/C33H22N2/c1-3-11-20(12-4-1)32-30-24-19-25(28(30)22-15-7-9-17-26(22)34-32)31-29(24)23-16-8-10-18-27(23)35-33(31)21-13-5-2-6-14-21/h1-18,24-25H,19H2
InChIKeyWJSPPQIKIUASFL-UHFFFAOYSA-N
MW446.55 g/mol
LogP8.10
Rot. Bonds2

About 10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene

10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene (PubChem CID 121476066) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene.

Molecular Properties

Compound Name10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene
PubChem CID121476066
Molecular FormulaC33H22N2
Molecular Weight446.55 g/mol
Exact Mass446.18
IUPAC Name10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene
SMILESc1ccc(-c2nc3ccccc3c3c2C2CC3c3c(-c4ccccc4)nc4ccccc4c32)cc1
InChIInChI=1S/C33H22N2/c1-3-11-20(12-4-1)32-30-24-19-25(28(30)22-15-7-9-17-26(22)34-32)31-29(24)23-16-8-10-18-27(23)35-33(31)21-13-5-2-6-14-21/h1-18,24-25H,19H2
InChIKeyWJSPPQIKIUASFL-UHFFFAOYSA-N
XLogP8.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene with MolForge

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Related Compounds

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CID 67485
2-[(E)-2-(2-quinolyl)vinyl]quinoline
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2,2'-Bi-4-lepidine
CID 2827924
9-Amino-1,2,3,4-tetrahydro-1,4-methanoacridine
CID 14372818
6,7-Dihydro-5,8-dimethyl-dibenzo(b,j)(1,10)phenanthroline
CID 165304
N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine
CID 1246657
N-cyclohexyl-2-methylindeno[1,2-b]quinolin-11-imine
CID 1910833
13-Phenyl-12-aza-11-azoniapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 11114394
N'-(11H-indeno[1,2-b]quinolin-10-yl)-N-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine
CID 54577393
N,N'-bis(11H-indeno[1,2-b]quinolin-10-yl)heptane-1,7-diamine
CID 54577607
9-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 2465673
Quinoline, 2-phenyl-4-(2-(1-(2-phenylethyl)-4-piperidinyl)ethyl)-
CID 3062095

Frequently Asked Questions

What is the IUPAC name of 10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene?
The IUPAC name of 10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene (CID 121476066) is 10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene.
What is the SMILES notation for 10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene?
The canonical SMILES for 10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene is c1ccc(-c2nc3ccccc3c3c2C2CC3c3c(-c4ccccc4)nc4ccccc4c32)cc1.
What is the InChIKey of 10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene?
The InChIKey is WJSPPQIKIUASFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-3-11-20(12-4-1)32-30-24-19-25(28(30)22-15-7-9-17-26(22)34-32)31-29(24)23-16-8-10-18-27(23)35-33(31)21-13-5-2-6-14-21/h1-18,24-25H,19H2.
What are the key properties of 10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene?
10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene has a molecular weight of 446.55 g/mol, XLogP of 8.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,21-diphenyl-9,20-diazahexacyclo[10.10.1.02,11.03,8.013,22.014,19]tricosa-2(11),3,5,7,9,13(22),14,16,18,20-decaene is sourced from PubChem (CID 121476066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).