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

C59H47N — CID 170538744

IUPAC9,9-dimethyl-5-phenyl-N-[3-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3cc4ccccc4cc3-c3ccc(-c4ccccc4)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C59H47N/c1-59(2)55-26-14-25-52(43-17-7-4-8-18-43)58(55)53-36-35-49(39-56(53)59)60(48-33-31-44(32-34-48)51-24-13-22-42-19-11-12-23-50(42)51)57-38-47-21-10-9-20-46(47)37-54(57)45-29-27-41(28-30-45)40-15-5-3-6-16-40/h3-10,13-18,20-22,24-39H,11-12,19,23H2,1-2H3
InChIKeyLYBJMHOSYCPMHC-UHFFFAOYSA-N
MW770.03 g/mol
LogP16.16
Rot. Bonds7

About 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

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 (PubChem CID 170538744) has the molecular formula C59H47N and a molecular weight of 770.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-dimethyl-5-phenyl-N-[3-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170538744
Molecular FormulaC59H47N
Molecular Weight770.03 g/mol
Exact Mass769.37
IUPAC Name9,9-dimethyl-5-phenyl-N-[3-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3cc4ccccc4cc3-c3ccc(-c4ccccc4)cc3)ccc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C59H47N/c1-59(2)55-26-14-25-52(43-17-7-4-8-18-43)58(55)53-36-35-49(39-56(53)59)60(48-33-31-44(32-34-48)51-24-13-22-42-19-11-12-23-50(42)51)57-38-47-21-10-9-20-46(47)37-54(57)45-29-27-41(28-30-45)40-15-5-3-6-16-40/h3-10,13-18,20-22,24-39H,11-12,19,23H2,1-2H3
InChIKeyLYBJMHOSYCPMHC-UHFFFAOYSA-N
XLogP16.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.03
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538816
9,9-dimethyl-N,5-diphenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538829
11,11-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[b]fluoren-2-amine
CID 170538826
11,11-dimethyl-N-(3-phenylnaphthalen-2-yl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[a]fluoren-9-amine
CID 170538670
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-N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538889
9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538841
3,9,9-trimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538858
9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538821
9,9-dimethyl-N,5-diphenyl-N-[3-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]fluoren-2-amine
CID 170417832

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(N(c3ccc(-c4cccc5c4CCCC5)cc3)c3cc4ccccc4cc3-c3ccc(-c4ccccc4)cc3)ccc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 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?
The InChIKey is LYBJMHOSYCPMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N/c1-59(2)55-26-14-25-52(43-17-7-4-8-18-43)58(55)53-36-35-49(39-56(53)59)60(48-33-31-44(32-34-48)51-24-13-22-42-19-11-12-23-50(42)51)57-38-47-21-10-9-20-46(47)37-54(57)45-29-27-41(28-30-45)40-15-5-3-6-16-40/h3-10,13-18,20-22,24-39H,11-12,19,23H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 770.03 g/mol, XLogP of 16.16, 7 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-[3-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170538744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).