N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

C64H62N2 — CID 170250351

IUPACN-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESCC(C)(C)c1ccc(Nc2cc3c(cc2-c2cc(-c4ccccc4)cc4c2Cc2c(ccc5c2C(C)(C)c2ccccc2-5)N4c2ccccc2-c2ccccc2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C64H62N2/c1-61(2,3)44-28-30-45(31-29-44)65-56-40-55-54(62(4,5)34-35-63(55,6)7)39-50(56)49-36-43(41-20-12-10-13-21-41)37-59-51(49)38-52-58(33-32-48-47-25-16-18-26-53(47)64(8,9)60(48)52)66(59)57-27-19-17-24-46(57)42-22-14-11-15-23-42/h10-33,36-37,39-40,65H,34-35,38H2,1-9H3
InChIKeyKJLQRYLEJGTPOF-UHFFFAOYSA-N
MW859.21 g/mol
LogP17.76
Rot. Bonds6

About N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine

N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (PubChem CID 170250351) has the molecular formula C64H62N2 and a molecular weight of 859.21 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
PubChem CID170250351
Molecular FormulaC64H62N2
Molecular Weight859.21 g/mol
Exact Mass858.49
IUPAC NameN-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
SMILESCC(C)(C)c1ccc(Nc2cc3c(cc2-c2cc(-c4ccccc4)cc4c2Cc2c(ccc5c2C(C)(C)c2ccccc2-5)N4c2ccccc2-c2ccccc2)C(C)(C)CCC3(C)C)cc1
InChIInChI=1S/C64H62N2/c1-61(2,3)44-28-30-45(31-29-44)65-56-40-55-54(62(4,5)34-35-63(55,6)7)39-50(56)49-36-43(41-20-12-10-13-21-41)37-59-51(49)38-52-58(33-32-48-47-25-16-18-26-53(47)64(8,9)60(48)52)66(59)57-27-19-17-24-46(57)42-22-14-11-15-23-42/h10-33,36-37,39-40,65H,34-35,38H2,1-9H3
InChIKeyKJLQRYLEJGTPOF-UHFFFAOYSA-N
XLogP17.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.21
LogP ≤ 517.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine with MolForge

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Related Compounds

2-(4-tert-butylphenyl)-18-(4-tert-butyl-2-phenylphenyl)-6,6,9,9,29,29-hexamethyl-15-phenyl-2,18-diaza-1-boraoctacyclo[15.14.1.03,12.05,10.013,32.019,31.022,30.023,28]dotriaconta-3,5(10),11,13(32),14,16,19(31),20,22(30),23,25,27-dodecaene
CID 174123676
3-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-5,5,8,8-tetramethyl-N-(4-phenylphenyl)-6,7-dihydronaphthalen-2-amine
CID 167133338
5,5,8,8-tetramethyl-N,3-diphenyl-6,7-dihydronaphthalen-2-amine
CID 163300047
N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449621
CID 174121676
CID 174121676
CID 174014927
CID 174014927
N-(4-phenylphenyl)-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170449602
CID 174119287
CID 174119287
15,22-ditert-butyl-12,18-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-5,5,8,8-tetramethyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13,15,17(25),19(24),20,22-nonaene
CID 170723984
CID 174126446
CID 174126446
N-(4-tert-butyl-2-phenylphenyl)-9,9-dimethylfluoren-3-amine
CID 164550755
CID 174018433
CID 174018433

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine (CID 170250351) is N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is CC(C)(C)c1ccc(Nc2cc3c(cc2-c2cc(-c4ccccc4)cc4c2Cc2c(ccc5c2C(C)(C)c2ccccc2-5)N4c2ccccc2-c2ccccc2)C(C)(C)CCC3(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
The InChIKey is KJLQRYLEJGTPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H62N2/c1-61(2,3)44-28-30-45(31-29-44)65-56-40-55-54(62(4,5)34-35-63(55,6)7)39-50(56)49-36-43(41-20-12-10-13-21-41)37-59-51(49)38-52-58(33-32-48-47-25-16-18-26-53(47)64(8,9)60(48)52)66(59)57-27-19-17-24-46(57)42-22-14-11-15-23-42/h10-33,36-37,39-40,65H,34-35,38H2,1-9H3.
What are the key properties of N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine?
N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine has a molecular weight of 859.21 g/mol, XLogP of 17.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-[12,12-dimethyl-3-phenyl-5-(2-phenylphenyl)-13H-indeno[2,1-a]acridin-1-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 170250351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).