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

C54H42N2 — CID 142510020

IUPAC7-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
SMILESC=CC1=C(C)C(C)(C)c2cc3c4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C54H42N2/c1-5-42-36(2)54(3,4)48-33-47-50(34-46(42)48)56(40-23-13-8-14-24-40)52-35-51(44-26-15-16-27-45(44)53(47)52)55(41-31-29-38(30-32-41)37-19-9-6-10-20-37)49-28-18-17-25-43(49)39-21-11-7-12-22-39/h5-35H,1H2,2-4H3
InChIKeyNZEPVLTWHAXCOD-UHFFFAOYSA-N
MW718.94 g/mol
LogP14.99
Rot. Bonds7

About 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

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 (PubChem CID 142510020) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID142510020
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC Name7-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
SMILESC=CC1=C(C)C(C)(C)c2cc3c4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C54H42N2/c1-5-42-36(2)54(3,4)48-33-47-50(34-46(42)48)56(40-23-13-8-14-24-40)52-35-51(44-26-15-16-27-45(44)53(47)52)55(41-31-29-38(30-32-41)37-19-9-6-10-20-37)49-28-18-17-25-43(49)39-21-11-7-12-22-39/h5-35H,1H2,2-4H3
InChIKeyNZEPVLTWHAXCOD-UHFFFAOYSA-N
XLogP14.99
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[c]carbazol-5-amine
CID 145362464
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-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 137385898
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
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
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
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-diphenyl-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 137385905
9-carbazol-9-yl-22,22-dimethyl-12-(2-phenylquinazolin-4-yl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene;N-(9,9-dimethylfluoren-2-yl)-22,22-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-12-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine;22,22-dimethyl-N,N,12-tris(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaen-9-amine
CID 161161874
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
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,2-diphenylaniline
CID 167527111
11,11-dimethyl-9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[a]fluoren-5-amine
CID 170373009

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC1=C(C)C(C)(C)c2cc3c4c5ccccc5c(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5ccccc5)cc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 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?
The InChIKey is NZEPVLTWHAXCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-5-42-36(2)54(3,4)48-33-47-50(34-46(42)48)56(40-23-13-8-14-24-40)52-35-51(44-26-15-16-27-45(44)53(47)52)55(41-31-29-38(30-32-41)37-19-9-6-10-20-37)49-28-18-17-25-43(49)39-21-11-7-12-22-39/h5-35H,1H2,2-4H3.
What are the key properties of 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?
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 has a molecular weight of 718.94 g/mol, XLogP of 14.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142510020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).