9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine

C52H45N3 — CID 71249509

IUPAC9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine
SMILESCc1ccccc1N(c1ccc(-c2ccc(N(c3ccc(-c4ccccn4)cc3)C3C=CC4=C(C3)c3ccccc3C4(C)C)cc2)cc1)c1ccccc1C
InChIInChI=1S/C52H45N3/c1-36-13-5-9-18-50(36)55(51-19-10-6-14-37(51)2)43-28-22-39(23-29-43)38-20-26-41(27-21-38)54(42-30-24-40(25-31-42)49-17-11-12-34-53-49)44-32-33-48-46(35-44)45-15-7-8-16-47(45)52(48,3)4/h5-34,44H,35H2,1-4H3
InChIKeyZXMRBRSKVBZLOD-UHFFFAOYSA-N
MW711.95 g/mol
LogP13.71
Rot. Bonds8

About 9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine

9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine (PubChem CID 71249509) has the molecular formula C52H45N3 and a molecular weight of 711.95 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine
PubChem CID71249509
Molecular FormulaC52H45N3
Molecular Weight711.95 g/mol
Exact Mass711.36
IUPAC Name9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine
SMILESCc1ccccc1N(c1ccc(-c2ccc(N(c3ccc(-c4ccccn4)cc3)C3C=CC4=C(C3)c3ccccc3C4(C)C)cc2)cc1)c1ccccc1C
InChIInChI=1S/C52H45N3/c1-36-13-5-9-18-50(36)55(51-19-10-6-14-37(51)2)43-28-22-39(23-29-43)38-20-26-41(27-21-38)54(42-30-24-40(25-31-42)49-17-11-12-34-53-49)44-32-33-48-46(35-44)45-15-7-8-16-47(45)52(48,3)4/h5-34,44H,35H2,1-4H3
InChIKeyZXMRBRSKVBZLOD-UHFFFAOYSA-N
XLogP13.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.95
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(N-[4-(9,9-dimethyl-3,4-dihydrofluoren-3-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 78046682
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylspiro[3,4-dihydrofluorene-9,9'-fluorene]-3-amine
CID 156821274
N-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 177080053
2-[4-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]phenyl]pyridine
CID 138573747
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
N-methyl-2-(2-methylphenyl)-N-[2-(2-methylphenyl)-4-(4-pyridin-2-ylphenyl)phenyl]-4-(4-pyridin-2-ylphenyl)aniline
CID 118242687
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N,4-N,4-N-tetrakis(9,9-dimethylfluoren-2-yl)-2-methylbenzene-1,4-diamine
CID 158320623
N-[4-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;N-[4-(1,8-dimethyl-4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)phenyl]-2-methyl-N-(2-methylphenyl)aniline;methane
CID 158552847
N-[2-[5-[9-(9,9-dimethyl-4a,9a-dihydrofluoren-3-yl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]phenyl]-9,9-dimethyl-N-phenyl-3,4-dihydrofluoren-3-amine
CID 146568626
N-[4-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 166694657
9-N,10-N-bis[4-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-2,6-dimethylphenyl]phenyl]-9-N,10-N-bis(2-methylphenyl)anthracene-9,10-diamine
CID 138666682

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine (CID 71249509) is 9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine is Cc1ccccc1N(c1ccc(-c2ccc(N(c3ccc(-c4ccccn4)cc3)C3C=CC4=C(C3)c3ccccc3C4(C)C)cc2)cc1)c1ccccc1C.
What is the InChIKey of 9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine?
The InChIKey is ZXMRBRSKVBZLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45N3/c1-36-13-5-9-18-50(36)55(51-19-10-6-14-37(51)2)43-28-22-39(23-29-43)38-20-26-41(27-21-38)54(42-30-24-40(25-31-42)49-17-11-12-34-53-49)44-32-33-48-46(35-44)45-15-7-8-16-47(45)52(48,3)4/h5-34,44H,35H2,1-4H3.
What are the key properties of 9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine?
9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine has a molecular weight of 711.95 g/mol, XLogP of 13.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]phenyl]-N-(4-pyridin-2-ylphenyl)-3,4-dihydrofluoren-3-amine is sourced from PubChem (CID 71249509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).