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

C49H41N — CID 170538816

IUPAC9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4CCCC5)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C49H41N/c1-49(2)46-22-12-21-44(37-15-7-4-8-16-37)48(46)45-32-31-41(33-47(45)49)50(39-27-23-35(24-28-39)34-13-5-3-6-14-34)40-29-25-38(26-30-40)43-20-11-18-36-17-9-10-19-42(36)43/h3-8,11-16,18,20-33H,9-10,17,19H2,1-2H3
InChIKeyGXXUUSCMBFMHTC-UHFFFAOYSA-N
MW643.87 g/mol
LogP13.34
Rot. Bonds6

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

9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170538816) has the molecular formula C49H41N and a molecular weight of 643.87 g/mol. Its IUPAC name is 9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170538816
Molecular FormulaC49H41N
Molecular Weight643.87 g/mol
Exact Mass643.32
IUPAC Name9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4CCCC5)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C49H41N/c1-49(2)46-22-12-21-44(37-15-7-4-8-16-37)48(46)45-32-31-41(33-47(45)49)50(39-27-23-35(24-28-39)34-13-5-3-6-14-34)40-29-25-38(26-30-40)43-20-11-18-36-17-9-10-19-42(36)43/h3-8,11-16,18,20-33H,9-10,17,19H2,1-2H3
InChIKeyGXXUUSCMBFMHTC-UHFFFAOYSA-N
XLogP13.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N,5-diphenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538829
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538672
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538705
5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538808
9,9-dimethyl-5-phenyl-N-[3-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538744
9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538841
5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170538703
5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538650
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine
CID 170538826
N,N-bis(9,9-dimethyl-5-phenylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-2-amine
CID 170179873
N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170538669

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170538816) is 9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4CCCC5)cc3)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The InChIKey is GXXUUSCMBFMHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H41N/c1-49(2)46-22-12-21-44(37-15-7-4-8-16-37)48(46)45-32-31-41(33-47(45)49)50(39-27-23-35(24-28-39)34-13-5-3-6-14-34)40-29-25-38(26-30-40)43-20-11-18-36-17-9-10-19-42(36)43/h3-8,11-16,18,20-33H,9-10,17,19H2,1-2H3.
What are the key properties of 9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 643.87 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170538816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).