8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine

C51H40N2 — CID 137385534

IUPAC8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine
SMILESCC1(C)CCc2ccc3c4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4n(-c4ccccc4)c3c21
InChIInChI=1S/C51H40N2/c1-51(2)33-32-38-28-31-44-48-43-24-13-12-23-42(43)46(34-47(48)53(50(44)49(38)51)39-20-10-5-11-21-39)52(40-29-26-36(27-30-40)35-16-6-3-7-17-35)45-25-15-14-22-41(45)37-18-8-4-9-19-37/h3-31,34H,32-33H2,1-2H3
InChIKeyJXXSMCYBSHOQAO-UHFFFAOYSA-N
MW680.90 g/mol
LogP13.96
Rot. Bonds6

About 8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine

8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine (PubChem CID 137385534) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is 8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine.

Molecular Properties

Compound Name8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine
PubChem CID137385534
Molecular FormulaC51H40N2
Molecular Weight680.90 g/mol
Exact Mass680.32
IUPAC Name8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine
SMILESCC1(C)CCc2ccc3c4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4n(-c4ccccc4)c3c21
InChIInChI=1S/C51H40N2/c1-51(2)33-32-38-28-31-44-48-43-24-13-12-23-42(43)46(34-47(48)53(50(44)49(38)51)39-20-10-5-11-21-39)52(40-29-26-36(27-30-40)35-16-6-3-7-17-35)45-25-15-14-22-41(45)37-18-8-4-9-19-37/h3-31,34H,32-33H2,1-2H3
InChIKeyJXXSMCYBSHOQAO-UHFFFAOYSA-N
XLogP13.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.90
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine with MolForge

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Related Compounds

7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[c]carbazol-5-amine
CID 145362464
9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine
CID 155791285
7-ethenyl-5,5,6-trimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.04,8.015,20]icosa-1(12),2,4(8),6,9,13,15,17,19-nonaen-14-amine
CID 142510020
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine
CID 137385635
2-phenyl-N-[4-(7-phenylbenzo[c]carbazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 166847633
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-12-phenyl-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385903
9-N,15-N-bis(9,9-dimethylfluoren-2-yl)-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-bis(4-naphthalen-1-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-12-phenyl-9-N,15-N-bis(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine;9-N,15-N-dinaphthalen-1-yl-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 158812086
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212
11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373009
16,16-dimethyl-N-(3-phenylphenyl)-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 155791302
16,16-dimethyl-N,12-diphenyl-N-[4-(4-phenylphenyl)phenyl]-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine;prop-1-ene
CID 142509983
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine?
The IUPAC name of 8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine (CID 137385534) is 8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine.
What is the SMILES notation for 8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine?
The canonical SMILES for 8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine is CC1(C)CCc2ccc3c4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4n(-c4ccccc4)c3c21.
What is the InChIKey of 8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine?
The InChIKey is JXXSMCYBSHOQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2/c1-51(2)33-32-38-28-31-44-48-43-24-13-12-23-42(43)46(34-47(48)53(50(44)49(38)51)39-20-10-5-11-21-39)52(40-29-26-36(27-30-40)35-16-6-3-7-17-35)45-25-15-14-22-41(45)37-18-8-4-9-19-37/h3-31,34H,32-33H2,1-2H3.
What are the key properties of 8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine?
8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine has a molecular weight of 680.90 g/mol, XLogP of 13.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine is sourced from PubChem (CID 137385534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).