aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene

C40H39N — CID 142504400

IUPACaniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene
SMILESC=CC(C)C1(C(C)C=C)c2ccccc2-c2cc(Cc3ccc(-c4ccccc4)cc3)ccc21.Nc1ccccc1
InChIInChI=1S/C34H32.C6H7N/c1-5-24(3)34(25(4)6-2)32-15-11-10-14-30(32)31-23-27(18-21-33(31)34)22-26-16-19-29(20-17-26)28-12-8-7-9-13-28;7-6-4-2-1-3-5-6/h5-21,23-25H,1-2,22H2,3-4H3;1-5H,7H2
InChIKeyYOCPVAXPYPGVJN-UHFFFAOYSA-N
MW533.76 g/mol
LogP10.12
Rot. Bonds7

About aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene

aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene (PubChem CID 142504400) has the molecular formula C40H39N and a molecular weight of 533.76 g/mol. Its IUPAC name is aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene.

Molecular Properties

Compound Nameaniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene
PubChem CID142504400
Molecular FormulaC40H39N
Molecular Weight533.76 g/mol
Exact Mass533.31
IUPAC Nameaniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene
SMILESC=CC(C)C1(C(C)C=C)c2ccccc2-c2cc(Cc3ccc(-c4ccccc4)cc3)ccc21.Nc1ccccc1
InChIInChI=1S/C34H32.C6H7N/c1-5-24(3)34(25(4)6-2)32-15-11-10-14-30(32)31-23-27(18-21-33(31)34)22-26-16-19-29(20-17-26)28-12-8-7-9-13-28;7-6-4-2-1-3-5-6/h5-21,23-25H,1-2,22H2,3-4H3;1-5H,7H2
InChIKeyYOCPVAXPYPGVJN-UHFFFAOYSA-N
XLogP10.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.76
LogP ≤ 510.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
6-benzyl-9,9-dimethylfluoren-3-amine
CID 129301138
4-[(4-amino-3-phenylphenyl)methyl]-2-phenylaniline
CID 146637396
aniline;1-benzyl-4-methylbenzene;1,4-xylene
CID 158888282
4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 166718125
3-[3-benzyl-5-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluorene
CID 145377641
4-[[4-hydroxy-3-(4-phenylphenyl)phenyl]methyl]-2-(4-phenylphenyl)phenol
CID 121386312
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
CID 22262965
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
1-bromo-4-phenylbenzene;4-methylaniline;1-methyl-4-[(4-phenylphenyl)methyl]benzene
CID 161391373
4-[4-[(9,9-dimethylfluoren-2-yl)methyl]phenyl]-N-methyl-N,2-diphenylaniline
CID 144810304

Frequently Asked Questions

What is the IUPAC name of aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene?
The IUPAC name of aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene (CID 142504400) is aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene.
What is the SMILES notation for aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene?
The canonical SMILES for aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene is C=CC(C)C1(C(C)C=C)c2ccccc2-c2cc(Cc3ccc(-c4ccccc4)cc3)ccc21.Nc1ccccc1.
What is the InChIKey of aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene?
The InChIKey is YOCPVAXPYPGVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32.C6H7N/c1-5-24(3)34(25(4)6-2)32-15-11-10-14-30(32)31-23-27(18-21-33(31)34)22-26-16-19-29(20-17-26)28-12-8-7-9-13-28;7-6-4-2-1-3-5-6/h5-21,23-25H,1-2,22H2,3-4H3;1-5H,7H2.
What are the key properties of aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene?
aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene has a molecular weight of 533.76 g/mol, XLogP of 10.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;9,9-bis(but-3-en-2-yl)-3-[(4-phenylphenyl)methyl]fluorene is sourced from PubChem (CID 142504400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).