11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile

C47H36N2 — CID 146434699

IUPAC11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile
SMILESCc1ccc2c(-c3cc4c5c(c3)C(C)(C)c3cc(C#N)cc6c7cccc(c7n-5c36)C4(C)C)c3cc(C)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C47H36N2/c1-26-16-18-32-34(19-26)41(29-11-8-7-9-12-29)31-17-15-27(2)20-35(31)42(32)30-23-39-45-40(24-30)47(5,6)38-22-28(25-48)21-36-33-13-10-14-37(46(39,3)4)43(33)49(45)44(36)38/h7-24H,1-6H3
InChIKeySGMWVMDMDKOAEE-UHFFFAOYSA-N
MW628.82 g/mol
LogP12.19
Rot. Bonds2

About 11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile

11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile (PubChem CID 146434699) has the molecular formula C47H36N2 and a molecular weight of 628.82 g/mol. Its IUPAC name is 11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile.

Molecular Properties

Compound Name11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile
PubChem CID146434699
Molecular FormulaC47H36N2
Molecular Weight628.82 g/mol
Exact Mass628.29
IUPAC Name11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile
SMILESCc1ccc2c(-c3cc4c5c(c3)C(C)(C)c3cc(C#N)cc6c7cccc(c7n-5c36)C4(C)C)c3cc(C)ccc3c(-c3ccccc3)c2c1
InChIInChI=1S/C47H36N2/c1-26-16-18-32-34(19-26)41(29-11-8-7-9-12-29)31-17-15-27(2)20-35(31)42(32)30-23-39-45-40(24-30)47(5,6)38-22-28(25-48)21-36-33-13-10-14-37(46(39,3)4)43(33)49(45)44(36)38/h7-24H,1-6H3
InChIKeySGMWVMDMDKOAEE-UHFFFAOYSA-N
XLogP12.19
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.82
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile 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

16-(2,6-dimethyl-10-phenylanthracen-9-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-5,10-dicarbonitrile
CID 146434700
8,8,14,14-tetramethyl-5-phenyl-17-(4-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 70892815
8,8,14,14-tetramethyl-5-(2-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70886001
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
8,8,14,14-tetramethyl-5,11,17-tris(4-methylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70893002
4-[4-(9,9-dimethylfluoren-2-yl)-N-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)anilino]benzonitrile
CID 70886008
8,8,14,14-tetramethyl-5-(10-phenylanthracen-9-yl)-17-(10-phenyl-1,2-dihydroanthracen-9-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 89065329
8,8,14,14-tetramethyl-5,17-bis(3-phenylphenyl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 70893126
8,8,14,14-tetramethyl-11-[6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 149101956
N,N-diphenyl-4-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)aniline
CID 70893138
5,10,13,13-tetramethyl-16-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 164799461
5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158216834

Frequently Asked Questions

What is the IUPAC name of 11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile?
The IUPAC name of 11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile (CID 146434699) is 11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile.
What is the SMILES notation for 11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile?
The canonical SMILES for 11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile is Cc1ccc2c(-c3cc4c5c(c3)C(C)(C)c3cc(C#N)cc6c7cccc(c7n-5c36)C4(C)C)c3cc(C)ccc3c(-c3ccccc3)c2c1.
What is the InChIKey of 11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile?
The InChIKey is SGMWVMDMDKOAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36N2/c1-26-16-18-32-34(19-26)41(29-11-8-7-9-12-29)31-17-15-27(2)20-35(31)42(32)30-23-39-45-40(24-30)47(5,6)38-22-28(25-48)21-36-33-13-10-14-37(46(39,3)4)43(33)49(45)44(36)38/h7-24H,1-6H3.
What are the key properties of 11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile?
11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile has a molecular weight of 628.82 g/mol, XLogP of 12.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,6-dimethyl-10-phenylanthracen-9-yl)-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-5-carbonitrile is sourced from PubChem (CID 146434699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).