ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline

C68H57N — CID 145354758

IUPACethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline
SMILESCC.Cc1ccccc1-c1cccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)C5CC5c5cc(-c7ccccc7)ccc5-6)cc4)cc3)c2C)c1C
InChIInChI=1S/C66H51N.C2H6/c1-43-14-10-11-19-56(43)58-21-13-23-60(45(58)3)59-22-12-20-57(44(59)2)50-28-36-55(37-29-50)67(53-32-24-48(25-33-53)46-15-6-4-7-16-46)54-34-26-49(27-35-54)52-31-39-62-61-38-30-51(47-17-8-5-9-18-47)40-63(61)65-42-66(65)64(62)41-52;1-2/h4-41,65-66H,42H2,1-3H3;1-2H3
InChIKeyREXJYLFIFLDMLD-UHFFFAOYSA-N
MW888.21 g/mol
LogP19.36
Rot. Bonds9

About ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline

ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline (PubChem CID 145354758) has the molecular formula C68H57N and a molecular weight of 888.21 g/mol. Its IUPAC name is ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline.

Molecular Properties

Compound Nameethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline
PubChem CID145354758
Molecular FormulaC68H57N
Molecular Weight888.21 g/mol
Exact Mass887.45
IUPAC Nameethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline
SMILESCC.Cc1ccccc1-c1cccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)C5CC5c5cc(-c7ccccc7)ccc5-6)cc4)cc3)c2C)c1C
InChIInChI=1S/C66H51N.C2H6/c1-43-14-10-11-19-56(43)58-21-13-23-60(45(58)3)59-22-12-20-57(44(59)2)50-28-36-55(37-29-50)67(53-32-24-48(25-33-53)46-15-6-4-7-16-46)54-34-26-49(27-35-54)52-31-39-62-61-38-30-51(47-17-8-5-9-18-47)40-63(61)65-42-66(65)64(62)41-52;1-2/h4-41,65-66H,42H2,1-3H3;1-2H3
InChIKeyREXJYLFIFLDMLD-UHFFFAOYSA-N
XLogP19.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.21
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline with MolForge

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Related Compounds

N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline
CID 145354759
N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144907542
N-[4-[3-(2-methylphenyl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 146556750
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
CID 137232562
ethane;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158849032
4-[3,5-dimethyl-4-[N-(2-phenylphenyl)-4-(3-phenylphenyl)anilino]phenyl]-2,6-dimethyl-N-(2-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322868
ethane;3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 145025123
N-[4-[2-(4-tert-butylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline;N-[4-(2,3-diphenylphenyl)phenyl]-N-[4-(2,4-diphenylphenyl)phenyl]-4-phenylaniline;N-[4-[2-(2-methylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 158908130
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
N-[3-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;1-methyl-3-(2-phenylphenyl)benzene
CID 144907562
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-[2-methyl-6-(4-phenylphenyl)phenyl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121322983

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline?
The IUPAC name of ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline (CID 145354758) is ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline.
What is the SMILES notation for ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline?
The canonical SMILES for ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline is CC.Cc1ccccc1-c1cccc(-c2cccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6c(c5)C5CC5c5cc(-c7ccccc7)ccc5-6)cc4)cc3)c2C)c1C.
What is the InChIKey of ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline?
The InChIKey is REXJYLFIFLDMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H51N.C2H6/c1-43-14-10-11-19-56(43)58-21-13-23-60(45(58)3)59-22-12-20-57(44(59)2)50-28-36-55(37-29-50)67(53-32-24-48(25-33-53)46-15-6-4-7-16-46)54-34-26-49(27-35-54)52-31-39-62-61-38-30-51(47-17-8-5-9-18-47)40-63(61)65-42-66(65)64(62)41-52;1-2/h4-41,65-66H,42H2,1-3H3;1-2H3.
What are the key properties of ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline?
ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline has a molecular weight of 888.21 g/mol, XLogP of 19.36, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[2-methyl-3-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenyl-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)phenyl]aniline is sourced from PubChem (CID 145354758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).