9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine

C57H63N — CID 174288374

IUPAC9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccc2c(c1N(c1cc3c(cc1-c1ccc(-c4ccccc4)cc1)-c1ccccc1C3(C)C)c1c(C)ccc3c1C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C57H63N/c1-36-22-28-45-49(55(7,8)32-30-53(45,3)4)51(36)58(52-37(2)23-29-46-50(52)56(9,10)33-31-54(46,5)6)48-35-47-43(41-20-16-17-21-44(41)57(47,11)12)34-42(48)40-26-24-39(25-27-40)38-18-14-13-15-19-38/h13-29,34-35H,30-33H2,1-12H3
InChIKeyLPLRYQQGJVFTBS-UHFFFAOYSA-N
MW762.14 g/mol
LogP16.11
Rot. Bonds5

About 9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine (PubChem CID 174288374) has the molecular formula C57H63N and a molecular weight of 762.14 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine
PubChem CID174288374
Molecular FormulaC57H63N
Molecular Weight762.14 g/mol
Exact Mass761.50
IUPAC Name9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine
SMILESCc1ccc2c(c1N(c1cc3c(cc1-c1ccc(-c4ccccc4)cc1)-c1ccccc1C3(C)C)c1c(C)ccc3c1C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C
InChIInChI=1S/C57H63N/c1-36-22-28-45-49(55(7,8)32-30-53(45,3)4)51(36)58(52-37(2)23-29-46-50(52)56(9,10)33-31-54(46,5)6)48-35-47-43(41-20-16-17-21-44(41)57(47,11)12)34-42(48)40-26-24-39(25-27-40)38-18-14-13-15-19-38/h13-29,34-35H,30-33H2,1-12H3
InChIKeyLPLRYQQGJVFTBS-UHFFFAOYSA-N
XLogP16.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.14
LogP ≤ 516.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
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
9,9-dimethyl-N,N-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445023
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,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448163
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
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
N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170446597
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445032
9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 156545394
9,9-dimethyl-2-phenyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 169039509

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 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) is 9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine is Cc1ccc2c(c1N(c1cc3c(cc1-c1ccc(-c4ccccc4)cc1)-c1ccccc1C3(C)C)c1c(C)ccc3c1C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C.
What is the InChIKey of 9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is LPLRYQQGJVFTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H63N/c1-36-22-28-45-49(55(7,8)32-30-53(45,3)4)51(36)58(52-37(2)23-29-46-50(52)56(9,10)33-31-54(46,5)6)48-35-47-43(41-20-16-17-21-44(41)57(47,11)12)34-42(48)40-26-24-39(25-27-40)38-18-14-13-15-19-38/h13-29,34-35H,30-33H2,1-12H3.
What are the key properties of 9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-N,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 762.14 g/mol, XLogP of 16.11, 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,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 174288374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).