1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine

C78H63N — CID 143607859

IUPAC1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine
SMILESCC1(C)c2cc(Cc3ccc(-c4ccccc4)cc3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)c2ccccc2c1-3.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C65H51N.C13H12/c1-64(2)58-41-44(40-43-24-27-48(28-25-43)45-16-8-5-9-17-45)26-37-53(58)56-38-39-57-61-55-23-15-14-22-54(55)60(42-59(61)65(3,4)63(57)62(56)64)66(51-33-29-49(30-34-51)46-18-10-6-11-19-46)52-35-31-50(32-36-52)47-20-12-7-13-21-47;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h5-39,41-42H,40H2,1-4H3;2-10H,1H3
InChIKeyCELXYYKEUXBZDK-UHFFFAOYSA-N
MW1014.37 g/mol
LogP21.18
Rot. Bonds9

About 1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine

1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine (PubChem CID 143607859) has the molecular formula C78H63N and a molecular weight of 1014.37 g/mol. Its IUPAC name is 1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine.

Molecular Properties

Compound Name1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine
PubChem CID143607859
Molecular FormulaC78H63N
Molecular Weight1014.37 g/mol
Exact Mass1013.50
IUPAC Name1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine
SMILESCC1(C)c2cc(Cc3ccc(-c4ccccc4)cc3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)c2ccccc2c1-3.Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C65H51N.C13H12/c1-64(2)58-41-44(40-43-24-27-48(28-25-43)45-16-8-5-9-17-45)26-37-53(58)56-38-39-57-61-55-23-15-14-22-54(55)60(42-59(61)65(3,4)63(57)62(56)64)66(51-33-29-49(30-34-51)46-18-10-6-11-19-46)52-35-31-50(32-36-52)47-20-12-7-13-21-47;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h5-39,41-42H,40H2,1-4H3;2-10H,1H3
InChIKeyCELXYYKEUXBZDK-UHFFFAOYSA-N
XLogP21.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.37
LogP ≤ 521.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine with MolForge

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Related Compounds

19-benzyl-12,12,22,22-tetramethyl-N,N-diphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-9-amine;toluene
CID 143607942
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-methylanilino)phenyl]phenyl]-7,7-dimethyl-N-(4-methylphenyl)benzo[c]fluoren-5-amine;N-[4-[4-(N-(7,7-dimethylbenzo[c]fluoren-5-yl)-3-phenylanilino)phenyl]phenyl]-7,7-dimethyl-N-(3-phenylphenyl)benzo[c]fluoren-5-amine
CID 159608670
N-(9,9-dimethylfluoren-2-yl)-N-[4-[[9,9-dimethyl-7-(4-methyl-N-(2-phenylphenyl)anilino)fluoren-2-yl]methyl]phenyl]phenanthren-9-amine
CID 134454981
N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine
CID 90129003
12,12-dimethyl-N,N,15-tris(4-phenylphenyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 118428464
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-amine
CID 145144997
7,7-dimethyl-5-N,9-N-bis(6-methyl-3-pyridinyl)-5-N,9-N-bis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 139397270
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;ethane;4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-methyl-N-(4-methylphenyl)-N-phenylaniline
CID 160684370
9-benzyl-7-methyl-N,N,7-triphenylbenzo[c]fluoren-5-amine
CID 90128736
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine
CID 160513135
N-[4-[9,9-dimethyl-7-[4-(4-methyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58939361

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine?
The IUPAC name of 1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine (CID 143607859) is 1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine.
What is the SMILES notation for 1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine?
The canonical SMILES for 1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine is CC1(C)c2cc(Cc3ccc(-c4ccccc4)cc3)ccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4ccccc4)cc2)c2ccccc2c1-3.Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine?
The InChIKey is CELXYYKEUXBZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H51N.C13H12/c1-64(2)58-41-44(40-43-24-27-48(28-25-43)45-16-8-5-9-17-45)26-37-53(58)56-38-39-57-61-55-23-15-14-22-54(55)60(42-59(61)65(3,4)63(57)62(56)64)66(51-33-29-49(30-34-51)46-18-10-6-11-19-46)52-35-31-50(32-36-52)47-20-12-7-13-21-47;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h5-39,41-42H,40H2,1-4H3;2-10H,1H3.
What are the key properties of 1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine?
1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine has a molecular weight of 1014.37 g/mol, XLogP of 21.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylbenzene;12,12,15,15-tetramethyl-N,N-bis(4-phenylphenyl)-18-[(4-phenylphenyl)methyl]hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaen-9-amine is sourced from PubChem (CID 143607859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).