9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine

C47H39N — CID 170538805

IUPAC9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)CCCC5)cc3)c3ccccc3-c3cccc4ccccc34)cc21
InChIInChI=1S/C47H39N/c1-47(2)44-20-9-7-17-41(44)42-29-28-38(31-45(42)47)48(37-26-24-33(25-27-37)36-23-22-32-12-3-4-14-35(32)30-36)46-21-10-8-18-43(46)40-19-11-15-34-13-5-6-16-39(34)40/h5-11,13,15-31H,3-4,12,14H2,1-2H3
InChIKeyMTYZEBGAZLNTLA-UHFFFAOYSA-N
MW617.84 g/mol
LogP12.83
Rot. Bonds5

About 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine (PubChem CID 170538805) has the molecular formula C47H39N and a molecular weight of 617.84 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
PubChem CID170538805
Molecular FormulaC47H39N
Molecular Weight617.84 g/mol
Exact Mass617.31
IUPAC Name9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)CCCC5)cc3)c3ccccc3-c3cccc4ccccc34)cc21
InChIInChI=1S/C47H39N/c1-47(2)44-20-9-7-17-41(44)42-29-28-38(31-45(42)47)48(37-26-24-33(25-27-37)36-23-22-32-12-3-4-14-35(32)30-36)46-21-10-8-18-43(46)40-19-11-15-34-13-5-6-16-39(34)40/h5-11,13,15-31H,3-4,12,14H2,1-2H3
InChIKeyMTYZEBGAZLNTLA-UHFFFAOYSA-N
XLogP12.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.84
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445964
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 121323104
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-1-ylphenyl]fluoren-2-amine
CID 146579363
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
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
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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
N-(4-chrysen-3-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170139523
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine (CID 170538805) is 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)CCCC5)cc3)c3ccccc3-c3cccc4ccccc34)cc21.
What is the InChIKey of 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine?
The InChIKey is MTYZEBGAZLNTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N/c1-47(2)44-20-9-7-17-41(44)42-29-28-38(31-45(42)47)48(37-26-24-33(25-27-37)36-23-22-32-12-3-4-14-35(32)30-36)46-21-10-8-18-43(46)40-19-11-15-34-13-5-6-16-39(34)40/h5-11,13,15-31H,3-4,12,14H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine has a molecular weight of 617.84 g/mol, XLogP of 12.83, 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-(2-naphthalen-1-ylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170538805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).