3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine

C76H96N2S — CID 167384376

IUPAC3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
SMILESCc1cc(N(c2ccc3c(c2)C(C)(C)CCC3(C)C)c2cccc3c2C(C)(C)CCC3(C)C)cc(N(c2ccc(C(C)(C)C)cc2-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c2csc3cc4c(cc23)C(C)(C)CCC4(C)C)c1
InChIInChI=1S/C76H96N2S/c1-47-37-51(77(50-26-27-56-59(42-50)72(12,13)30-29-69(56,6)7)64-24-22-23-57-67(64)76(20,21)36-35-70(57,8)9)41-52(38-47)78(65-46-79-66-45-62-61(44-55(65)66)74(16,17)33-34-75(62,18)19)63-28-25-49(68(3,4)5)40-54(63)53-43-60-58(39-48(53)2)71(10,11)31-32-73(60,14)15/h22-28,37-46H,29-36H2,1-21H3
InChIKeyYFVCVZZDCHCDHM-UHFFFAOYSA-N
MW1069.68 g/mol
LogP22.82
Rot. Bonds7

About 3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine

3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine (PubChem CID 167384376) has the molecular formula C76H96N2S and a molecular weight of 1069.68 g/mol. Its IUPAC name is 3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
PubChem CID167384376
Molecular FormulaC76H96N2S
Molecular Weight1069.68 g/mol
Exact Mass1068.73
IUPAC Name3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
SMILESCc1cc(N(c2ccc3c(c2)C(C)(C)CCC3(C)C)c2cccc3c2C(C)(C)CCC3(C)C)cc(N(c2ccc(C(C)(C)C)cc2-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c2csc3cc4c(cc23)C(C)(C)CCC4(C)C)c1
InChIInChI=1S/C76H96N2S/c1-47-37-51(77(50-26-27-56-59(42-50)72(12,13)30-29-69(56,6)7)64-24-22-23-57-67(64)76(20,21)36-35-70(57,8)9)41-52(38-47)78(65-46-79-66-45-62-61(44-55(65)66)74(16,17)33-34-75(62,18)19)63-28-25-49(68(3,4)5)40-54(63)53-43-60-58(39-48(53)2)71(10,11)31-32-73(60,14)15/h22-28,37-46H,29-36H2,1-21H3
InChIKeyYFVCVZZDCHCDHM-UHFFFAOYSA-N
XLogP22.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.68
LogP ≤ 522.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(5-tert-butyl-1-benzothiophen-3-yl)-1-N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-2-chloro-1-N-(9,9-dimethylxanthen-3-yl)-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 168806276
1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 166497789
3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 167394680
3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-dibenzofuran-4-yl-5-methyl-1-N-(5,5,7,7,12,12,14,14-octamethylpentacen-2-yl)-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 168806227
3-N-(3-tert-butylphenyl)-3-N-dibenzofuran-4-yl-5-methyl-1-N,1-N-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 167390714
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-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine
CID 167391415
1-N-(2-bromo-4-tert-butylphenyl)-3-N-(5-tert-butyl-1-benzothiophen-3-yl)-1-N-[4-tert-butyl-2-(3,5-ditert-butylphenyl)phenyl]-5-methyl-3-N-(2,4,6-trimethylphenyl)benzene-1,3-diamine
CID 176862815
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
1-N,1-N-bis(4-tert-butylphenyl)-3-N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-3-N-(1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-yl)-5-methylbenzene-1,3-diamine;N,N-bis(4-tert-butylphenyl)-3-chloro-5-methylaniline;N-[2-(4-tert-butylphenyl)-4-trimethylsilylphenyl]-1,11-dimethyl-5-thiatetracyclo[9.2.2.02,10.04,8]pentadeca-2(10),3,6,8-tetraen-7-amine
CID 165022766
18-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-6,6,9,9,15,24,24,27,27-nonamethyl-12-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-20-thia-12,18-diaza-1-boraoctacyclo[15.14.1.02,11.05,10.013,32.019,31.021,30.023,28]dotriaconta-2(11),3,5(10),13(32),14,16,19(31),21,23(28),29-decaene
CID 167383873
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine
CID 174308002

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine (CID 167384376) is 3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine is Cc1cc(N(c2ccc3c(c2)C(C)(C)CCC3(C)C)c2cccc3c2C(C)(C)CCC3(C)C)cc(N(c2ccc(C(C)(C)C)cc2-c2cc3c(cc2C)C(C)(C)CCC3(C)C)c2csc3cc4c(cc23)C(C)(C)CCC4(C)C)c1.
What is the InChIKey of 3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine?
The InChIKey is YFVCVZZDCHCDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H96N2S/c1-47-37-51(77(50-26-27-56-59(42-50)72(12,13)30-29-69(56,6)7)64-24-22-23-57-67(64)76(20,21)36-35-70(57,8)9)41-52(38-47)78(65-46-79-66-45-62-61(44-55(65)66)74(16,17)33-34-75(62,18)19)63-28-25-49(68(3,4)5)40-54(63)53-43-60-58(39-48(53)2)71(10,11)31-32-73(60,14)15/h22-28,37-46H,29-36H2,1-21H3.
What are the key properties of 3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine?
3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine has a molecular weight of 1069.68 g/mol, XLogP of 22.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-tert-butyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydrobenzo[f][1]benzothiol-3-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-1-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 167384376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).