aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene

C70H61N3O — CID 142380718

IUPACaniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(N)cc(-c4cccc5c6c(oc45)=CCCC=6)c3)cc21.Cc1ccc(-c2ccccc2)cc1.Nc1ccccc1.c1ccc(Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C33H27NO.C18H15N.C13H12.C6H7N/c1-33(2)29-12-5-3-8-25(29)26-15-14-20(19-30(26)33)21-16-22(18-23(34)17-21)24-10-7-11-28-27-9-4-6-13-31(27)35-32(24)28;1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;7-6-4-2-1-3-5-6/h3,5,7-19H,4,6,34H2,1-2H3;1-14,19H;2-10H,1H3;1-5H,7H2
InChIKeyWTBXSMAFMGQOGF-UHFFFAOYSA-N
MW960.28 g/mol
LogP17.04
Rot. Bonds6

About aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene

aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene (PubChem CID 142380718) has the molecular formula C70H61N3O and a molecular weight of 960.28 g/mol. Its IUPAC name is aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene.

Molecular Properties

Compound Nameaniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene
PubChem CID142380718
Molecular FormulaC70H61N3O
Molecular Weight960.28 g/mol
Exact Mass959.48
IUPAC Nameaniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(N)cc(-c4cccc5c6c(oc45)=CCCC=6)c3)cc21.Cc1ccc(-c2ccccc2)cc1.Nc1ccccc1.c1ccc(Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C33H27NO.C18H15N.C13H12.C6H7N/c1-33(2)29-12-5-3-8-25(29)26-15-14-20(19-30(26)33)21-16-22(18-23(34)17-21)24-10-7-11-28-27-9-4-6-13-31(27)35-32(24)28;1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;7-6-4-2-1-3-5-6/h3,5,7-19H,4,6,34H2,1-2H3;1-14,19H;2-10H,1H3;1-5H,7H2
InChIKeyWTBXSMAFMGQOGF-UHFFFAOYSA-N
XLogP17.04
TPSA77.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.28
LogP ≤ 517.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline
CID 142380719
6-[9,9-dimethyl-6-(4-methylphenyl)fluoren-2-yl]-2,3-dihydrodibenzofuran
CID 156827136
4-[4-[2-(9,9-dimethylfluoren-2-yl)anilino]phenyl]-2-phenylaniline
CID 118682439
N-[4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenylaniline
CID 168764863
N-[4-[3-(9,9-dimethylfluoren-3-yl)-4-(4-phenylanilino)phenyl]-2-phenylphenyl]naphthalen-1-amine
CID 121343768
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651128
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
2-[3-[3-[2-[3-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-N-phenylaniline
CID 129054632
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
N-(9,9-dimethylfluoren-4-yl)-6-phenyldibenzofuran-4-amine
CID 172544973
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
7-(4-anilinophenyl)-9,9-dimethylfluoren-2-amine
CID 142967651

Frequently Asked Questions

What is the IUPAC name of aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene?
The IUPAC name of aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene (CID 142380718) is aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene.
What is the SMILES notation for aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene?
The canonical SMILES for aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene is CC1(C)c2ccccc2-c2ccc(-c3cc(N)cc(-c4cccc5c6c(oc45)=CCCC=6)c3)cc21.Cc1ccc(-c2ccccc2)cc1.Nc1ccccc1.c1ccc(Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene?
The InChIKey is WTBXSMAFMGQOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO.C18H15N.C13H12.C6H7N/c1-33(2)29-12-5-3-8-25(29)26-15-14-20(19-30(26)33)21-16-22(18-23(34)17-21)24-10-7-11-28-27-9-4-6-13-31(27)35-32(24)28;1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;7-6-4-2-1-3-5-6/h3,5,7-19H,4,6,34H2,1-2H3;1-14,19H;2-10H,1H3;1-5H,7H2.
What are the key properties of aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene?
aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene has a molecular weight of 960.28 g/mol, XLogP of 17.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline;N,2-diphenylaniline;1-methyl-4-phenylbenzene is sourced from PubChem (CID 142380718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).