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

C50H59N — CID 170446597

IUPACN,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
SMILESCc1ccc2c(c1-c1cc3c(cc1N(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)C(C)(C)c1ccccc1-3)C(C)(C)CCC2(C)C
InChIInChI=1S/C50H59N/c1-32-18-27-41-45(49(10,11)29-28-48(41,8)9)44(32)39-30-38-37-16-14-15-17-40(37)50(12,13)42(38)31-43(39)51(35-23-19-33(20-24-35)46(2,3)4)36-25-21-34(22-26-36)47(5,6)7/h14-27,30-31H,28-29H2,1-13H3
InChIKeyJORNMGFMURUMBT-UHFFFAOYSA-N
MW674.03 g/mol
LogP14.38
Rot. Bonds4

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

N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine (PubChem CID 170446597) has the molecular formula C50H59N and a molecular weight of 674.03 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
PubChem CID170446597
Molecular FormulaC50H59N
Molecular Weight674.03 g/mol
Exact Mass673.46
IUPAC NameN,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
SMILESCc1ccc2c(c1-c1cc3c(cc1N(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)C(C)(C)c1ccccc1-3)C(C)(C)CCC2(C)C
InChIInChI=1S/C50H59N/c1-32-18-27-41-45(49(10,11)29-28-48(41,8)9)44(32)39-30-38-37-16-14-15-17-40(37)50(12,13)42(38)31-43(39)51(35-23-19-33(20-24-35)46(2,3)4)36-25-21-34(22-26-36)47(5,6)7/h14-27,30-31H,28-29H2,1-13H3
InChIKeyJORNMGFMURUMBT-UHFFFAOYSA-N
XLogP14.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.03
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-tert-butylphenyl)-3'-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449198
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-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,N-bis(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)-3-(4-phenylphenyl)fluoren-2-amine
CID 174288374
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
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
CID 170445292
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-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-phenylfluoren-3-amine
CID 167340405
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
9,9-dimethyl-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-N-phenylfluoren-2-amine
CID 174287822
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?
The IUPAC name of 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) is N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine is Cc1ccc2c(c1-c1cc3c(cc1N(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)C(C)(C)c1ccccc1-3)C(C)(C)CCC2(C)C.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?
The InChIKey is JORNMGFMURUMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H59N/c1-32-18-27-41-45(49(10,11)29-28-48(41,8)9)44(32)39-30-38-37-16-14-15-17-40(37)50(12,13)42(38)31-43(39)51(35-23-19-33(20-24-35)46(2,3)4)36-25-21-34(22-26-36)47(5,6)7/h14-27,30-31H,28-29H2,1-13H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine?
N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine has a molecular weight of 674.03 g/mol, XLogP of 14.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-9,9-dimethyl-3-(2,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine is sourced from PubChem (CID 170446597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).