N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline

C51H41N — CID 144661519

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)cc1-c1ccc2ccccc2c1C
InChIInChI=1S/C51H41N/c1-34-18-19-39(32-48(34)45-30-24-38-12-8-9-15-44(38)35(45)2)36-20-26-42(27-21-36)52(41-13-6-5-7-14-41)43-28-22-37(23-29-43)40-25-31-47-46-16-10-11-17-49(46)51(3,4)50(47)33-40/h5-33H,1-4H3
InChIKeyFTSRDHDBPDIXEM-UHFFFAOYSA-N
MW667.90 g/mol
LogP14.23
Rot. Bonds6

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline (PubChem CID 144661519) has the molecular formula C51H41N and a molecular weight of 667.90 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline
PubChem CID144661519
Molecular FormulaC51H41N
Molecular Weight667.90 g/mol
Exact Mass667.32
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)cc1-c1ccc2ccccc2c1C
InChIInChI=1S/C51H41N/c1-34-18-19-39(32-48(34)45-30-24-38-12-8-9-15-44(38)35(45)2)36-20-26-42(27-21-36)52(41-13-6-5-7-14-41)43-28-22-37(23-29-43)40-25-31-47-46-16-10-11-17-49(46)51(3,4)50(47)33-40/h5-33H,1-4H3
InChIKeyFTSRDHDBPDIXEM-UHFFFAOYSA-N
XLogP14.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.90
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine
CID 170179875
9,9-dimethyl-N,N-bis(4-phenanthren-3-ylphenyl)fluoren-2-amine
CID 142614599
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-phenanthren-9-ylphenyl)-N-phenylfluoren-2-amine
CID 118500370
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
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
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline (CID 144661519) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline is Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cc2)cc1-c1ccc2ccccc2c1C.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline?
The InChIKey is FTSRDHDBPDIXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N/c1-34-18-19-39(32-48(34)45-30-24-38-12-8-9-15-44(38)35(45)2)36-20-26-42(27-21-36)52(41-13-6-5-7-14-41)43-28-22-37(23-29-43)40-25-31-47-46-16-10-11-17-49(46)51(3,4)50(47)33-40/h5-33H,1-4H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline has a molecular weight of 667.90 g/mol, XLogP of 14.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-methyl-3-(1-methylnaphthalen-2-yl)phenyl]-N-phenylaniline is sourced from PubChem (CID 144661519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).