4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol

C50H37NO — CID 154985556

IUPAC4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol
SMILESCc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C50H37NO/c1-35-16-22-40(23-17-35)50(41-24-31-45(52)32-25-41)48-15-9-8-14-46(48)47-33-30-44(34-49(47)50)51(42-26-18-38(19-27-42)36-10-4-2-5-11-36)43-28-20-39(21-29-43)37-12-6-3-7-13-37/h2-34,52H,1H3
InChIKeyXCDMIQDFDMZHTO-UHFFFAOYSA-N
MW667.85 g/mol
LogP12.87
Rot. Bonds7

About 4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol

4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol (PubChem CID 154985556) has the molecular formula C50H37NO and a molecular weight of 667.85 g/mol. Its IUPAC name is 4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol.

Molecular Properties

Compound Name4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol
PubChem CID154985556
Molecular FormulaC50H37NO
Molecular Weight667.85 g/mol
Exact Mass667.29
IUPAC Name4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol
SMILESCc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C50H37NO/c1-35-16-22-40(23-17-35)50(41-24-31-45(52)32-25-41)48-15-9-8-14-46(48)47-33-30-44(34-49(47)50)51(42-26-18-38(19-27-42)36-10-4-2-5-11-36)43-28-20-39(21-29-43)37-12-6-3-7-13-37/h2-34,52H,1H3
InChIKeyXCDMIQDFDMZHTO-UHFFFAOYSA-N
XLogP12.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.85
LogP ≤ 512.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
9-(2-bromophenyl)-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 118049371
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol?
The IUPAC name of 4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol (CID 154985556) is 4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol.
What is the SMILES notation for 4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol?
The canonical SMILES for 4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol is Cc1ccc(C2(c3ccc(O)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc32)cc1.
What is the InChIKey of 4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol?
The InChIKey is XCDMIQDFDMZHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NO/c1-35-16-22-40(23-17-35)50(41-24-31-45(52)32-25-41)48-15-9-8-14-46(48)47-33-30-44(34-49(47)50)51(42-26-18-38(19-27-42)36-10-4-2-5-11-36)43-28-20-39(21-29-43)37-12-6-3-7-13-37/h2-34,52H,1H3.
What are the key properties of 4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol?
4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol has a molecular weight of 667.85 g/mol, XLogP of 12.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-methylphenyl)-2-(4-phenyl-N-(4-phenylphenyl)anilino)fluoren-9-yl]phenol is sourced from PubChem (CID 154985556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).