2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine

C78H77N — CID 144614134

IUPAC2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine
SMILESCC.Cc1ccc(-c2ccccc2)cc1C.Cc1ccc(-c2ccccc2C)c(C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4C)c(C)c3)c3cc(-c4ccccc4)ccc3C)c3ccccc3c1-2
InChIInChI=1S/C47H41N.C15H16.C14H14.C2H6/c1-30-20-24-41-42(26-30)47(5,6)43-29-45(39-18-12-13-19-40(39)46(41)43)48(44-28-35(22-21-32(44)3)34-15-8-7-9-16-34)36-23-25-38(33(4)27-36)37-17-11-10-14-31(37)2;1-11-8-9-15(13(3)10-11)14-7-5-4-6-12(14)2;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-2/h7-29H,1-6H3;4-10H,1-3H3;3-10H,1-2H3;1-2H3
InChIKeyHOIGZGCGPMWEHJ-UHFFFAOYSA-N
MW1028.48 g/mol
LogP22.46
Rot. Bonds7

About 2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine

2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine (PubChem CID 144614134) has the molecular formula C78H77N and a molecular weight of 1028.48 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine.

Molecular Properties

Compound Name2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine
PubChem CID144614134
Molecular FormulaC78H77N
Molecular Weight1028.48 g/mol
Exact Mass1027.61
IUPAC Name2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine
SMILESCC.Cc1ccc(-c2ccccc2)cc1C.Cc1ccc(-c2ccccc2C)c(C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4C)c(C)c3)c3cc(-c4ccccc4)ccc3C)c3ccccc3c1-2
InChIInChI=1S/C47H41N.C15H16.C14H14.C2H6/c1-30-20-24-41-42(26-30)47(5,6)43-29-45(39-18-12-13-19-40(39)46(41)43)48(44-28-35(22-21-32(44)3)34-15-8-7-9-16-34)36-23-25-38(33(4)27-36)37-17-11-10-14-31(37)2;1-11-8-9-15(13(3)10-11)14-7-5-4-6-12(14)2;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-2/h7-29H,1-6H3;4-10H,1-3H3;3-10H,1-2H3;1-2H3
InChIKeyHOIGZGCGPMWEHJ-UHFFFAOYSA-N
XLogP22.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001028.48
LogP ≤ 522.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine with MolForge

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Related Compounds

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
9-N,19-N-bis(9,9-dimethylfluoren-2-yl)-9-N,19-N-bis(2,5-dimethylphenyl)-12,12,22,22-tetramethylhexacyclo[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-undecaene-9,19-diamine
CID 171449691
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
9-N-(2-fluorophenyl)-7,7-dimethyl-5-N-[3-methyl-4-(2-methylphenyl)phenyl]-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 144613209
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]spiro[benzo[c]fluorene-7,9'-fluorene]-5-amine
CID 145144997
N-dibenzofuran-1-yl-9-methyl-N-(7,7,9-trimethylbenzo[c]fluoren-5-yl)carbazol-3-amine;ethane;1-fluoro-2-methylbenzene;1-methyl-4-phenylbenzene
CID 144614329
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
2,7,9,9-tetramethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 176836125
7,7-dimethyl-N-(2-phenylphenyl)-N,5-bis(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 121321506
9-N,9-N,19-N,19-N-tetrakis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[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-undecaene-9,19-diamine
CID 155323973
9-N'-(2,4-dimethylphenyl)-17-N'-(2,5-dimethylphenyl)-9-N'-[4-[3-(N-[9'-(N-(2,5-dimethylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-yl]-2,5-dimethylanilino)phenyl]phenyl]-17-N'-phenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 137492881

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine?
The IUPAC name of 2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine (CID 144614134) is 2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine.
What is the SMILES notation for 2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine?
The canonical SMILES for 2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine is CC.Cc1ccc(-c2ccccc2)cc1C.Cc1ccc(-c2ccccc2C)c(C)c1.Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccc(-c4ccccc4C)c(C)c3)c3cc(-c4ccccc4)ccc3C)c3ccccc3c1-2.
What is the InChIKey of 2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine?
The InChIKey is HOIGZGCGPMWEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41N.C15H16.C14H14.C2H6/c1-30-20-24-41-42(26-30)47(5,6)43-29-45(39-18-12-13-19-40(39)46(41)43)48(44-28-35(22-21-32(44)3)34-15-8-7-9-16-34)36-23-25-38(33(4)27-36)37-17-11-10-14-31(37)2;1-11-8-9-15(13(3)10-11)14-7-5-4-6-12(14)2;1-11-8-9-14(10-12(11)2)13-6-4-3-5-7-13;1-2/h7-29H,1-6H3;4-10H,1-3H3;3-10H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine?
2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine has a molecular weight of 1028.48 g/mol, XLogP of 22.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;ethane;7,7,9-trimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-N-(2-methyl-5-phenylphenyl)benzo[c]fluoren-5-amine is sourced from PubChem (CID 144614134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).