(5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene

C59H57N — CID 144810379

IUPAC(5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene
SMILESCC1(C)c2ccccc2C2/C=C/C=C\C(c3ccccc3)=C/C=C/C=C\C21.Cc1ccc(-c2ccc(-c3ccc4c(c3)NCC/C=C\C=C/C3=C4C=CCC3C)cc2)cc1
InChIInChI=1S/C32H31N.C27H26/c1-23-11-13-25(14-12-23)26-15-17-27(18-16-26)28-19-20-31-30-10-7-8-24(2)29(30)9-5-3-4-6-21-33-32(31)22-28;1-27(2)25-19-8-4-7-15-22(21-13-5-3-6-14-21)16-9-10-17-23(25)24-18-11-12-20-26(24)27/h3-5,7,9-20,22,24,33H,6,8,21H2,1-2H3;3-20,23,25H,1-2H3/b4-3-,9-5-;7-4+,16-9-,17-10+,19-8-,22-15+
InChIKeyPJDAJDVQGJINDN-IIONVJANSA-N
MW780.11 g/mol
LogP15.61
Rot. Bonds3

About (5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene

(5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene (PubChem CID 144810379) has the molecular formula C59H57N and a molecular weight of 780.11 g/mol. Its IUPAC name is (5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene.

Molecular Properties

Compound Name(5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene
PubChem CID144810379
Molecular FormulaC59H57N
Molecular Weight780.11 g/mol
Exact Mass779.45
IUPAC Name(5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene
SMILESCC1(C)c2ccccc2C2/C=C/C=C\C(c3ccccc3)=C/C=C/C=C\C21.Cc1ccc(-c2ccc(-c3ccc4c(c3)NCC/C=C\C=C/C3=C4C=CCC3C)cc2)cc1
InChIInChI=1S/C32H31N.C27H26/c1-23-11-13-25(14-12-23)26-15-17-27(18-16-26)28-19-20-31-30-10-7-8-24(2)29(30)9-5-3-4-6-21-33-32(31)22-28;1-27(2)25-19-8-4-7-15-22(21-13-5-3-6-14-21)16-9-10-17-23(25)24-18-11-12-20-26(24)27/h3-5,7,9-20,22,24,33H,6,8,21H2,1-2H3;3-20,23,25H,1-2H3/b4-3-,9-5-;7-4+,16-9-,17-10+,19-8-,22-15+
InChIKeyPJDAJDVQGJINDN-IIONVJANSA-N
XLogP15.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.11
LogP ≤ 515.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene with MolForge

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Related Compounds

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CID 59582849
2-(3-cyclohepta-1,3,6-trien-1-ylphenyl)-6-methyl-7-naphthalen-1-yl-5-(3-phenyl-4-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-ylphenyl)-3H-azepine
CID 142356185
N-[4-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
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9-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-3-[(E)-2-[4-[7'-(7'-methylspiro[cyclopentane-1,9'-fluorene]-2'-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]ethenyl]carbazole
CID 89093907
5-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170282180
9-[6-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)naphthalen-2-yl]-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,17,19-nonaene
CID 163803571
N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
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2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6,6,12,12-tetramethyl-8-(10-phenylanthracen-9-yl)-6a,10a-dihydroindeno[1,2-b]fluorene;9-(9,9-dimethylfluoren-2-yl)-10-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[7-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[9,9-dimethyl-7-[4-(10-phenylanthracen-9-yl)phenyl]fluoren-2-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 159205359
9,9-dimethyl-N-[3-[(3Z,5Z)-7-methylidene-12-phenyl-2H-thionino[2,3-b]indol-9-yl]phenyl]-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 90267790

Frequently Asked Questions

What is the IUPAC name of (5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene?
The IUPAC name of (5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene (CID 144810379) is (5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene.
What is the SMILES notation for (5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene?
The canonical SMILES for (5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene is CC1(C)c2ccccc2C2/C=C/C=C\C(c3ccccc3)=C/C=C/C=C\C21.Cc1ccc(-c2ccc(-c3ccc4c(c3)NCC/C=C\C=C/C3=C4C=CCC3C)cc2)cc1.
What is the InChIKey of (5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene?
The InChIKey is PJDAJDVQGJINDN-IIONVJANSA-N. The full InChI is InChI=1S/C32H31N.C27H26/c1-23-11-13-25(14-12-23)26-15-17-27(18-16-26)28-19-20-31-30-10-7-8-24(2)29(30)9-5-3-4-6-21-33-32(31)22-28;1-27(2)25-19-8-4-7-15-22(21-13-5-3-6-14-21)16-9-10-17-23(25)24-18-11-12-20-26(24)27/h3-5,7,9-20,22,24,33H,6,8,21H2,1-2H3;3-20,23,25H,1-2H3/b4-3-,9-5-;7-4+,16-9-,17-10+,19-8-,22-15+.
What are the key properties of (5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene?
(5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene has a molecular weight of 780.11 g/mol, XLogP of 15.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z,9E,11E,13Z)-15,15-dimethyl-9-phenyl-4b,14a-dihydrocyclododeca[a]indene;(11Z,13Z)-16-methyl-5-[4-(4-methylphenyl)phenyl]-8-azatricyclo[13.4.0.02,7]nonadeca-1(15),2(7),3,5,11,13,18-heptaene is sourced from PubChem (CID 144810379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).