8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

C46H41N — CID 70885671

IUPAC8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2ccccc2N2c3ccc(C4=CC(C5CC=C(c6ccccc6)c6ccccc65)CC=C4)cc3C(C)(C)c3cccc1c32
InChIInChI=1S/C46H41N/c1-45(2)38-20-10-11-23-42(38)47-43-27-24-32(29-41(43)46(3,4)40-22-13-21-39(45)44(40)47)31-16-12-17-33(28-31)35-26-25-34(30-14-6-5-7-15-30)36-18-8-9-19-37(35)36/h5-16,18-25,27-29,33,35H,17,26H2,1-4H3
InChIKeyNOSDPLDDWPCLIF-UHFFFAOYSA-N
MW607.84 g/mol
LogP12.01
Rot. Bonds3

About 8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene

8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (PubChem CID 70885671) has the molecular formula C46H41N and a molecular weight of 607.84 g/mol. Its IUPAC name is 8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
PubChem CID70885671
Molecular FormulaC46H41N
Molecular Weight607.84 g/mol
Exact Mass607.32
IUPAC Name8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
SMILESCC1(C)c2ccccc2N2c3ccc(C4=CC(C5CC=C(c6ccccc6)c6ccccc65)CC=C4)cc3C(C)(C)c3cccc1c32
InChIInChI=1S/C46H41N/c1-45(2)38-20-10-11-23-42(38)47-43-27-24-32(29-41(43)46(3,4)40-22-13-21-39(45)44(40)47)31-16-12-17-33(28-31)35-26-25-34(30-14-6-5-7-15-30)36-18-8-9-19-37(35)36/h5-16,18-25,27-29,33,35H,17,26H2,1-4H3
InChIKeyNOSDPLDDWPCLIF-UHFFFAOYSA-N
XLogP12.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.84
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene 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-5-(2-naphthalen-1-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 70892961
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(8,8,14,14-tetramethyl-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-yl)phenyl]fluoren-2-amine
CID 58489858
N,N-diphenyl-4-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine
CID 70893267
8,8,14,14-tetramethyl-5,17-diphenyl-11-[4-[4-(8,8,14,14-tetramethyl-5,17-diphenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330364
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
N-naphthalen-2-yl-N-phenyl-5-(8,8,14,14-tetramethyl-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-yl)naphthalen-1-amine
CID 70893250
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
8,8,14,14-tetramethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-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 70892954
8,8,14,14-tetramethyl-5,17-diphenyl-11-[9-phenyl-6-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]carbazol-3-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 90330383
2-phenyl-7-(8,8,14,14-tetramethyl-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-yl)xanthen-9-one
CID 168812429
21,21-dimethyl-18,24-diphenyl-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
CID 134509799
8,14-bis[2,6-bis(3-phenylphenyl)phenyl]-11-(9,9-dimethyl-10-phenylacridin-2-yl)-4,18-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 172518441

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene (CID 70885671) is 8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is CC1(C)c2ccccc2N2c3ccc(C4=CC(C5CC=C(c6ccccc6)c6ccccc65)CC=C4)cc3C(C)(C)c3cccc1c32.
What is the InChIKey of 8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
The InChIKey is NOSDPLDDWPCLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41N/c1-45(2)38-20-10-11-23-42(38)47-43-27-24-32(29-41(43)46(3,4)40-22-13-21-39(45)44(40)47)31-16-12-17-33(28-31)35-26-25-34(30-14-6-5-7-15-30)36-18-8-9-19-37(35)36/h5-16,18-25,27-29,33,35H,17,26H2,1-4H3.
What are the key properties of 8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene?
8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene has a molecular weight of 607.84 g/mol, XLogP of 12.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,14,14-tetramethyl-5-[3-(4-phenyl-1,2-dihydronaphthalen-1-yl)cyclohexa-1,5-dien-1-yl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 70885671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).