9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine

C48H39N — CID 167281399

IUPAC9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCC1(c2cccc3ccccc23)C=CC(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)=CC1
InChIInChI=1S/C48H39N/c1-47(2)44-20-9-8-18-42(44)43-27-26-38(32-46(43)47)49(36-24-22-35(23-25-36)40-19-10-14-33-12-4-6-16-39(33)40)37-28-30-48(3,31-29-37)45-21-11-15-34-13-5-7-17-41(34)45/h4-30,32H,31H2,1-3H3
InChIKeyVSUPAJGLLHHKRM-UHFFFAOYSA-N
MW629.85 g/mol
LogP12.91
Rot. Bonds5

About 9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine (PubChem CID 167281399) has the molecular formula C48H39N and a molecular weight of 629.85 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
PubChem CID167281399
Molecular FormulaC48H39N
Molecular Weight629.85 g/mol
Exact Mass629.31
IUPAC Name9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCC1(c2cccc3ccccc23)C=CC(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)=CC1
InChIInChI=1S/C48H39N/c1-47(2)44-20-9-8-18-42(44)43-27-26-38(32-46(43)47)49(36-24-22-35(23-25-36)40-19-10-14-33-12-4-6-16-39(33)40)37-28-30-48(3,31-29-37)45-21-11-15-34-13-5-7-17-41(34)45/h4-30,32H,31H2,1-3H3
InChIKeyVSUPAJGLLHHKRM-UHFFFAOYSA-N
XLogP12.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.85
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
CID 167232336
N-(9,9-dimethylfluoren-2-yl)-3-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)triphenylen-2-amine
CID 177294607
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 118428459
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
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine (CID 167281399) is 9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine is CC1(c2cccc3ccccc23)C=CC(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)=CC1.
What is the InChIKey of 9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
The InChIKey is VSUPAJGLLHHKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N/c1-47(2)44-20-9-8-18-42(44)43-27-26-38(32-46(43)47)49(36-24-22-35(23-25-36)40-19-10-14-33-12-4-6-16-39(33)40)37-28-30-48(3,31-29-37)45-21-11-15-34-13-5-7-17-41(34)45/h4-30,32H,31H2,1-3H3.
What are the key properties of 9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine has a molecular weight of 629.85 g/mol, XLogP of 12.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-methyl-4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 167281399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).