9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine

C49H37N — CID 167324147

IUPAC9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc(-c4ccccc4-c4ccccc4)c3)cc21
InChIInChI=1S/C49H37N/c1-49(2)47-25-11-10-24-45(47)46-29-28-42(33-48(46)49)50(40-20-12-18-37(31-40)38-27-26-34-14-6-7-17-36(34)30-38)41-21-13-19-39(32-41)44-23-9-8-22-43(44)35-15-4-3-5-16-35/h3-33H,1-2H3
InChIKeyURGKXINPCXXYKJ-UHFFFAOYSA-N
MW639.84 g/mol
LogP13.62
Rot. Bonds6

About 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 167324147) has the molecular formula C49H37N and a molecular weight of 639.84 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID167324147
Molecular FormulaC49H37N
Molecular Weight639.84 g/mol
Exact Mass639.29
IUPAC Name9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc(-c4ccccc4-c4ccccc4)c3)cc21
InChIInChI=1S/C49H37N/c1-49(2)47-25-11-10-24-45(47)46-29-28-42(33-48(46)49)50(40-20-12-18-37(31-40)38-27-26-34-14-6-7-17-36(34)30-38)41-21-13-19-39(32-41)44-23-9-8-22-43(44)35-15-4-3-5-16-35/h3-33H,1-2H3
InChIKeyURGKXINPCXXYKJ-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.84
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166566247
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine
CID 171452515
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298615
2-N-[3-[7-[4-(N-[9,9-dimethyl-7-(N-(4-naphthalen-2-ylphenyl)anilino)fluoren-2-yl]anilino)phenyl]naphthalen-2-yl]phenyl]-2-N-[4-[4-[3-[4-[N-[9,9-dimethyl-7-(N-[4-(3-phenylphenyl)phenyl]anilino)fluoren-2-yl]-4-(3-phenylphenyl)anilino]phenyl]phenyl]phenyl]phenyl]-9,9-dimethyl-7-N-phenyl-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 134482074
N-(4-chrysen-1-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-2-amine
CID 170140156
9,9-dimethyl-2,7-dinaphthalen-2-ylfluorene;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;1,8-diphenylphenanthrene
CID 162212406
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-(4-naphthalen-2-ylphenyl)-N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158189817
4-[6-[4-[4-[4-[N-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]naphthalen-2-yl]-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 146496873
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 176588375
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]fluoren-2-amine;N-[4-[4-(N-(4-naphthalen-2-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N,2-N,7-N,7-N-tetrakis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 162201655
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-2-ylphenyl)benzo[c]phenanthren-2-amine
CID 167182297

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine (CID 167324147) is 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc(-c4ccccc4-c4ccccc4)c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is URGKXINPCXXYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N/c1-49(2)47-25-11-10-24-45(47)46-29-28-42(33-48(46)49)50(40-20-12-18-37(31-40)38-27-26-34-14-6-7-17-36(34)30-38)41-21-13-19-39(32-41)44-23-9-8-22-43(44)35-15-4-3-5-16-35/h3-33H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 639.84 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 167324147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).