N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine

C51H40N2 — CID 121291558

IUPACN-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine
SMILESc1ccc(CNCc2cccc(Nc3cc4c(cc3-c3ccc(-c5ccccc5)cc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C51H40N2/c1-5-16-37(17-6-1)35-52-36-38-18-15-25-44(32-38)53-50-34-47-45-26-13-14-27-48(45)51(42-21-9-3-10-22-42,43-23-11-4-12-24-43)49(47)33-46(50)41-30-28-40(29-31-41)39-19-7-2-8-20-39/h1-34,52-53H,35-36H2
InChIKeyBTRYGBHSCSYYPD-UHFFFAOYSA-N
MW680.90 g/mol
LogP12.42
Rot. Bonds10

About N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine

N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine (PubChem CID 121291558) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine
PubChem CID121291558
Molecular FormulaC51H40N2
Molecular Weight680.90 g/mol
Exact Mass680.32
IUPAC NameN-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine
SMILESc1ccc(CNCc2cccc(Nc3cc4c(cc3-c3ccc(-c5ccccc5)cc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C51H40N2/c1-5-16-37(17-6-1)35-52-36-38-18-15-25-44(32-38)53-50-34-47-45-26-13-14-27-48(45)51(42-21-9-3-10-22-42,43-23-11-4-12-24-43)49(47)33-46(50)41-30-28-40(29-31-41)39-19-7-2-8-20-39/h1-34,52-53H,35-36H2
InChIKeyBTRYGBHSCSYYPD-UHFFFAOYSA-N
XLogP12.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.90
LogP ≤ 512.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(anilinomethyl)phenyl]-2-(9,9-diphenylfluoren-2-yl)aniline
CID 118534522
4-phenyl-N'-[C-phenyl-N-[[3-[(2,9,9-triphenylfluoren-3-yl)amino]phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 121323520
9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 155297414
N-phenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 165158428
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
N-[4-[[[[amino(phenyl)methyl]amino]-benzylamino]methyl]phenyl]-3,9,9-triphenylfluoren-2-amine
CID 121356041
3,9,9-triphenylfluorene
CID 140844354
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
CID 165158405
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 142567692

Frequently Asked Questions

What is the IUPAC name of N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine (CID 121291558) is N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine is c1ccc(CNCc2cccc(Nc3cc4c(cc3-c3ccc(-c5ccccc5)cc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.
What is the InChIKey of N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is BTRYGBHSCSYYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N2/c1-5-16-37(17-6-1)35-52-36-38-18-15-25-44(32-38)53-50-34-47-45-26-13-14-27-48(45)51(42-21-9-3-10-22-42,43-23-11-4-12-24-43)49(47)33-46(50)41-30-28-40(29-31-41)39-19-7-2-8-20-39/h1-34,52-53H,35-36H2.
What are the key properties of N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine?
N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 680.90 g/mol, XLogP of 12.42, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(benzylamino)methyl]phenyl]-9,9-diphenyl-2-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 121291558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).