9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

C48H45N — CID 170446751

IUPAC9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
SMILESCc1cc2c(cc1-c1cc3c(cc1N(c1ccc(-c4ccccc4)cc1)c1ccc4c(c1)CCCC4)C(C)(C)c1ccccc1-3)CCCC2
InChIInChI=1S/C48H45N/c1-32-27-36-16-9-10-18-38(36)29-42(32)44-30-43-41-19-11-12-20-45(41)48(2,3)46(43)31-47(44)49(40-26-23-34-15-7-8-17-37(34)28-40)39-24-21-35(22-25-39)33-13-5-4-6-14-33/h4-6,11-14,19-31H,7-10,15-18H2,1-3H3
InChIKeyXQSFYFBBKFXMDZ-UHFFFAOYSA-N
MW635.90 g/mol
LogP12.86
Rot. Bonds5

About 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170446751) has the molecular formula C48H45N and a molecular weight of 635.90 g/mol. Its IUPAC name is 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
PubChem CID170446751
Molecular FormulaC48H45N
Molecular Weight635.90 g/mol
Exact Mass635.36
IUPAC Name9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
SMILESCc1cc2c(cc1-c1cc3c(cc1N(c1ccc(-c4ccccc4)cc1)c1ccc4c(c1)CCCC4)C(C)(C)c1ccccc1-3)CCCC2
InChIInChI=1S/C48H45N/c1-32-27-36-16-9-10-18-38(36)29-42(32)44-30-43-41-19-11-12-20-45(41)48(2,3)46(43)31-47(44)49(40-26-23-34-15-7-8-17-37(34)28-40)39-24-21-35(22-25-39)33-13-5-4-6-14-33/h4-6,11-14,19-31H,7-10,15-18H2,1-3H3
InChIKeyXQSFYFBBKFXMDZ-UHFFFAOYSA-N
XLogP12.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.90
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 170449270
9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445163
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445211
9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446758
9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445836
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445933
9,9-dimethyl-3-(4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446938
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448848
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447564
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445964
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170446119
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(3-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170446806

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (CID 170446751) is 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is Cc1cc2c(cc1-c1cc3c(cc1N(c1ccc(-c4ccccc4)cc1)c1ccc4c(c1)CCCC4)C(C)(C)c1ccccc1-3)CCCC2.
What is the InChIKey of 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The InChIKey is XQSFYFBBKFXMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H45N/c1-32-27-36-16-9-10-18-38(36)29-42(32)44-30-43-41-19-11-12-20-45(41)48(2,3)46(43)31-47(44)49(40-26-23-34-15-7-8-17-37(34)28-40)39-24-21-35(22-25-39)33-13-5-4-6-14-33/h4-6,11-14,19-31H,7-10,15-18H2,1-3H3.
What are the key properties of 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 635.90 g/mol, XLogP of 12.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-(4-phenylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170446751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).