N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine

C46H35N — CID 154945422

IUPACN-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)cc4)c4c3-c3ccccc3C4c3ccccc3)cc21
InChIInChI=1S/C46H35N/c1-46(2)40-20-12-11-17-36(40)37-26-25-34(29-41(37)46)47-42-28-27-35(32-23-21-31(22-24-32)30-13-5-3-6-14-30)45-43(33-15-7-4-8-16-33)38-18-9-10-19-39(38)44(42)45/h3-29,43,47H,1-2H3
InChIKeyGJPNBHHQLNVORU-UHFFFAOYSA-N
MW601.79 g/mol
LogP12.23
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine (PubChem CID 154945422) has the molecular formula C46H35N and a molecular weight of 601.79 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine
PubChem CID154945422
Molecular FormulaC46H35N
Molecular Weight601.79 g/mol
Exact Mass601.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)cc4)c4c3-c3ccccc3C4c3ccccc3)cc21
InChIInChI=1S/C46H35N/c1-46(2)40-20-12-11-17-36(40)37-26-25-34(29-41(37)46)47-42-28-27-35(32-23-21-31(22-24-32)30-13-5-3-6-14-30)45-43(33-15-7-4-8-16-33)38-18-9-10-19-39(38)44(42)45/h3-29,43,47H,1-2H3
InChIKeyGJPNBHHQLNVORU-UHFFFAOYSA-N
XLogP12.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 512.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
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-phenylphenyl)-9,9-bis(trideuteriomethyl)fluoren-2-amine
CID 155619972
N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 90294631
CID 144628230
CID 144628230
N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 156522410
N-[4-(4-fluorophenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 167260406
N-[2-(4-cyclopentylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 177124729
N-(9,9-dimethylfluoren-2-yl)-7-phenyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 170366013

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine (CID 154945422) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccccc5)cc4)c4c3-c3ccccc3C4c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine?
The InChIKey is GJPNBHHQLNVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N/c1-46(2)40-20-12-11-17-36(40)37-26-25-34(29-41(37)46)47-42-28-27-35(32-23-21-31(22-24-32)30-13-5-3-6-14-30)45-43(33-15-7-4-8-16-33)38-18-9-10-19-39(38)44(42)45/h3-29,43,47H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine?
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine has a molecular weight of 601.79 g/mol, XLogP of 12.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-1-(4-phenylphenyl)-9H-fluoren-4-amine is sourced from PubChem (CID 154945422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).