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

C21H17N — CID 86098015

IUPAC7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene
SMILESc1ccc(-c2nc3c(c4c2CCC4)-c2ccccc2C3)cc1
InChIInChI=1S/C21H17N/c1-2-7-14(8-3-1)21-18-12-6-11-17(18)20-16-10-5-4-9-15(16)13-19(20)22-21/h1-5,7-10H,6,11-13H2
InChIKeyJDFAXWHOXAUDLC-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.81
Rot. Bonds1

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

7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene (PubChem CID 86098015) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene.

Molecular Properties

Compound Name7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene
PubChem CID86098015
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene
SMILESc1ccc(-c2nc3c(c4c2CCC4)-c2ccccc2C3)cc1
InChIInChI=1S/C21H17N/c1-2-7-14(8-3-1)21-18-12-6-11-17(18)20-16-10-5-4-9-15(16)13-19(20)22-21/h1-5,7-10H,6,11-13H2
InChIKeyJDFAXWHOXAUDLC-UHFFFAOYSA-N
XLogP4.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-phenyl-9H-indeno[2,1-d]pyrimidine
CID 139310265
2,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 6426041
7,7-dimethyl-5-phenyl-1,2,3,4-tetrahydrobenzo[a]phenanthridin-8-one
CID 102469827
2,4-diphenyl-5,10-dihydrobenzo[g]quinazoline
CID 101394728
3,4-diphenyl-5H-indeno[1,2-b]pyridine
CID 71411540
2-methyl-6-phenyl-7H-indeno[2,1-c]quinoline
CID 12624418
2-methoxy-4-phenyl-9H-indeno[2,1-b]pyridine
CID 135035975
2,3-diphenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 14436619
4-(4-phenyl-9H-indeno[2,1-d]pyrimidin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122469719
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 144884682
2-(1H-indol-3-yl)-4-phenyl-9H-indeno[2,1-b]pyridine-3-carbonitrile
CID 102483282
2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 122487429

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene?
The IUPAC name of 7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene (CID 86098015) is 7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene.
What is the SMILES notation for 7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene?
The canonical SMILES for 7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene is c1ccc(-c2nc3c(c4c2CCC4)-c2ccccc2C3)cc1.
What is the InChIKey of 7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene?
The InChIKey is JDFAXWHOXAUDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N/c1-2-7-14(8-3-1)21-18-12-6-11-17(18)20-16-10-5-4-9-15(16)13-19(20)22-21/h1-5,7-10H,6,11-13H2.
What are the key properties of 7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene?
7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene has a molecular weight of 283.37 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-8-azatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11,13,15-hexaene is sourced from PubChem (CID 86098015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).