9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine

C61H63N — CID 170445740

IUPAC9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc(-c6cccc7c6C(C)(C)CCC7(C)C)cc4)C(C)(C)c4ccccc4-5)cc3)cccc21
InChIInChI=1S/C61H63N/c1-57(2)34-36-59(5,6)55-45(21-16-24-51(55)57)40-26-28-42(29-27-40)48-38-49-47-20-14-15-23-50(47)61(9,10)53(49)39-54(48)62(43-18-12-11-13-19-43)44-32-30-41(31-33-44)46-22-17-25-52-56(46)60(7,8)37-35-58(52,3)4/h11-33,38-39H,34-37H2,1-10H3
InChIKeyAIUBWXNYLPUKKW-UHFFFAOYSA-N
MW810.18 g/mol
LogP17.16
Rot. Bonds6

About 9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine (PubChem CID 170445740) has the molecular formula C61H63N and a molecular weight of 810.18 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
PubChem CID170445740
Molecular FormulaC61H63N
Molecular Weight810.18 g/mol
Exact Mass809.50
IUPAC Name9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
SMILESCC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc(-c6cccc7c6C(C)(C)CCC7(C)C)cc4)C(C)(C)c4ccccc4-5)cc3)cccc21
InChIInChI=1S/C61H63N/c1-57(2)34-36-59(5,6)55-45(21-16-24-51(55)57)40-26-28-42(29-27-40)48-38-49-47-20-14-15-23-50(47)61(9,10)53(49)39-54(48)62(43-18-12-11-13-19-43)44-32-30-41(31-33-44)46-22-17-25-52-56(46)60(7,8)37-35-58(52,3)4/h11-33,38-39H,34-37H2,1-10H3
InChIKeyAIUBWXNYLPUKKW-UHFFFAOYSA-N
XLogP17.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.18
LogP ≤ 517.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170445739
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445654
N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448163
9,9-dimethyl-N,N-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445023
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448170
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
CID 170445292
N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448208
N-(4-tert-butylphenyl)-9,9-dimethyl-N-phenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170445450
9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine
CID 174288374
9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 156545394
9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-N-(5,5,8,8-tetramethyl-2-propan-2-yl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170446406
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170446175

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine (CID 170445740) is 9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine is CC1(C)CCC(C)(C)c2c(-c3ccc(-c4cc5c(cc4N(c4ccccc4)c4ccc(-c6cccc7c6C(C)(C)CCC7(C)C)cc4)C(C)(C)c4ccccc4-5)cc3)cccc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?
The InChIKey is AIUBWXNYLPUKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H63N/c1-57(2)34-36-59(5,6)55-45(21-16-24-51(55)57)40-26-28-42(29-27-40)48-38-49-47-20-14-15-23-50(47)61(9,10)53(49)39-54(48)62(43-18-12-11-13-19-43)44-32-30-41(31-33-44)46-22-17-25-52-56(46)60(7,8)37-35-58(52,3)4/h11-33,38-39H,34-37H2,1-10H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine has a molecular weight of 810.18 g/mol, XLogP of 17.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N,3-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 170445740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).