3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline

C58H45N — CID 154972891

IUPAC3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5ccc6c(c5)-c5ccccc5C6(C)C)c4)c3)ccc21
InChIInChI=1S/C58H45N/c1-57(2)53-21-9-7-19-49(53)51-36-44(27-31-55(51)57)41-15-11-17-47(34-41)59(46-29-25-39(26-30-46)43-24-23-38-13-5-6-14-40(38)33-43)48-18-12-16-42(35-48)45-28-32-56-52(37-45)50-20-8-10-22-54(50)58(56,3)4/h5-37H,1-4H3
InChIKeyKYGRBKREQQNSEL-UHFFFAOYSA-N
MW756.01 g/mol
LogP15.92
Rot. Bonds6

About 3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline

3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 154972891) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID154972891
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC Name3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5ccc6c(c5)-c5ccccc5C6(C)C)c4)c3)ccc21
InChIInChI=1S/C58H45N/c1-57(2)53-21-9-7-19-49(53)51-36-44(27-31-55(51)57)41-15-11-17-47(34-41)59(46-29-25-39(26-30-46)43-24-23-38-13-5-6-14-40(38)33-43)48-18-12-16-42(35-48)45-28-32-56-52(37-45)50-20-8-10-22-54(50)58(56,3)4/h5-37H,1-4H3
InChIKeyKYGRBKREQQNSEL-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)fluoren-3-amine
CID 170675865
9,9-dimethyl-6-naphthalen-2-yl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 130250393
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 129085267
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167324283
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-[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167324147
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-(9,9-dimethylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-3-phenanthren-9-ylaniline
CID 166566679
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
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

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline (CID 154972891) is 3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline is CC1(C)c2ccccc2-c2cc(-c3cccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc(-c5ccc6c(c5)-c5ccccc5C6(C)C)c4)c3)ccc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is KYGRBKREQQNSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-57(2)53-21-9-7-19-49(53)51-36-44(27-31-55(51)57)41-15-11-17-47(34-41)59(46-29-25-39(26-30-46)43-24-23-38-13-5-6-14-40(38)33-43)48-18-12-16-42(35-48)45-28-32-56-52(37-45)50-20-8-10-22-54(50)58(56,3)4/h5-37H,1-4H3.
What are the key properties of 3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline?
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 756.01 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 154972891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).