8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine

C46H39N3 — CID 70886398

IUPAC8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
SMILESCC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5n4)cc(c12)C3(C)C
InChIInChI=1S/C46H39N3/c1-44(2)33-16-11-18-35-41(33)49-42-34(44)17-12-19-36(42)46(5,6)38-27-32(26-37(43(38)49)45(35,3)4)48(31-23-21-28-13-7-8-15-30(28)25-31)40-24-22-29-14-9-10-20-39(29)47-40/h7-27H,1-6H3
InChIKeyQXSGNQCTGXVLPT-UHFFFAOYSA-N
MW633.84 g/mol
LogP12.25
Rot. Bonds3

About 8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine

8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine (PubChem CID 70886398) has the molecular formula C46H39N3 and a molecular weight of 633.84 g/mol. Its IUPAC name is 8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine.

Molecular Properties

Compound Name8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
PubChem CID70886398
Molecular FormulaC46H39N3
Molecular Weight633.84 g/mol
Exact Mass633.31
IUPAC Name8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
SMILESCC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5n4)cc(c12)C3(C)C
InChIInChI=1S/C46H39N3/c1-44(2)33-16-11-18-35-41(33)49-42-34(44)17-12-19-36(42)46(5,6)38-27-32(26-37(43(38)49)45(35,3)4)48(31-23-21-28-13-7-8-15-30(28)25-31)40-24-22-29-14-9-10-20-39(29)47-40/h7-27H,1-6H3
InChIKeyQXSGNQCTGXVLPT-UHFFFAOYSA-N
XLogP12.25
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.84
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine 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

8,8,14,14-tetramethyl-N-phenyl-N-quinolin-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70893103
N-(4-tert-butylphenyl)-8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
CID 70892844
8,8,14,14,22,22-hexamethyl-5,11-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70892958
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)cyclohexa-1,5-dien-1-yl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 70885931
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-1-yl)fluoren-2-amine;9,9-dimethyl-N-(3-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)fluoren-2-amine;N-naphthalen-2-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]quinolin-2-amine;3-naphthalen-1-yl-N-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine;3-phenyl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 163948624
N-methyl-N-naphthalen-2-ylquinolin-2-amine
CID 70891325
8,8,14,14,22,22-hexamethyl-5-N,5-N,11-N,11-N,17-N,17-N-hexakis-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 158487565
5-N,11-N-bis(3,5-dimethylphenyl)-8,8,14,14,22,22-hexamethyl-5-N,11-N-bis(4-methylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene-5,11-diamine
CID 70885926
5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-11-N,17-N-bis(9,9-dimethylfluoren-2-yl)-8,8,14,14,22,22-hexamethyl-5-N,11-N,17-N-trinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-triamine
CID 89065475
N-isoquinolin-1-yl-13,13-dimethyl-N-quinolin-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70893030
8,8,14,14-tetramethyl-N-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 70892813
8,8,14,14-tetramethyl-N,17-dinaphthalen-2-yl-N-phenyl-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-amine
CID 70892857

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
The IUPAC name of 8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine (CID 70886398) is 8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine.
What is the SMILES notation for 8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
The canonical SMILES for 8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine is CC1(C)c2cccc3c2N2c4c1cccc4C(C)(C)c1cc(N(c4ccc5ccccc5c4)c4ccc5ccccc5n4)cc(c12)C3(C)C.
What is the InChIKey of 8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
The InChIKey is QXSGNQCTGXVLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N3/c1-44(2)33-16-11-18-35-41(33)49-42-34(44)17-12-19-36(42)46(5,6)38-27-32(26-37(43(38)49)45(35,3)4)48(31-23-21-28-13-7-8-15-30(28)25-31)40-24-22-29-14-9-10-20-39(29)47-40/h7-27H,1-6H3.
What are the key properties of 8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine?
8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine has a molecular weight of 633.84 g/mol, XLogP of 12.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine is sourced from PubChem (CID 70886398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).