5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine

C82H79N3 — CID 177082488

IUPAC5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESCC(C)(C)c1cccc(N(c2cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C82H79N3/c1-79(2,3)60-39-30-42-65(47-60)83(77-70(56-31-18-13-19-32-56)50-62(81(7,8)9)51-71(77)57-33-20-14-21-34-57)67-48-61(80(4,5)6)49-68(54-67)84(66-45-46-76-74(55-66)69-43-28-29-44-75(69)85(76)64-40-26-17-27-41-64)78-72(58-35-22-15-23-36-58)52-63(82(10,11)12)53-73(78)59-37-24-16-25-38-59/h13-55H,1-12H3
InChIKeyBOFGRGFXJVFPDE-UHFFFAOYSA-N
MW1106.56 g/mol
LogP23.58
Rot. Bonds11

About 5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine

5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine (PubChem CID 177082488) has the molecular formula C82H79N3 and a molecular weight of 1106.56 g/mol. Its IUPAC name is 5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
PubChem CID177082488
Molecular FormulaC82H79N3
Molecular Weight1106.56 g/mol
Exact Mass1105.63
IUPAC Name5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
SMILESCC(C)(C)c1cccc(N(c2cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C82H79N3/c1-79(2,3)60-39-30-42-65(47-60)83(77-70(56-31-18-13-19-32-56)50-62(81(7,8)9)51-71(77)57-33-20-14-21-34-57)67-48-61(80(4,5)6)49-68(54-67)84(66-45-46-76-74(55-66)69-43-28-29-44-75(69)85(76)64-40-26-17-27-41-64)78-72(58-35-22-15-23-36-58)52-63(82(10,11)12)53-73(78)59-37-24-16-25-38-59/h13-55H,1-12H3
InChIKeyBOFGRGFXJVFPDE-UHFFFAOYSA-N
XLogP23.58
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001106.56
LogP ≤ 523.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-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

5-tert-butyl-3-N-[4-tert-butyl-2,6-bis(3-phenylphenyl)phenyl]-1-N,3-N-bis(3-carbazol-9-ylphenyl)-1-N-(2,6-diphenylphenyl)benzene-1,3-diamine
CID 176815115
5-tert-butyl-1-N,3-N-bis(3-carbazol-9-ylphenyl)-1-N,3-N-bis[2-phenyl-6-(3-phenylphenyl)phenyl]benzene-1,3-diamine
CID 176815097
4-tert-butyl-N-(3-tert-butylphenyl)-N-(3-chlorophenyl)-2-[3-[9-(3,5-ditert-butylphenyl)carbazol-3-yl]phenyl]-6-phenylaniline
CID 177107569
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
3-N-[2,4-bis(3-carbazol-9-ylphenoxy)phenyl]-5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 177099341
1-N,3-N-bis(6-tert-butyl-9-phenylcarbazol-3-yl)-1-N,3-N-dinaphthalen-1-ylbenzene-1,3-diamine
CID 59816073
5-tert-butyl-3-N-[4-tert-butyl-2,6-bis(4-tert-butylphenyl)phenyl]-3-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-1-N-(3,5-diphenylphenyl)-1-N-(9,9'-spirobi[fluorene]-3-yl)benzene-1,3-diamine
CID 169076673
9-(3-tert-butylphenyl)-3-[9-(3-tert-butylphenyl)carbazol-3-yl]carbazole;9-(4-tert-butylphenyl)-3-[9-(4-tert-butylphenyl)carbazol-3-yl]carbazole;N,N-diphenyl-3-[3-[9-[3-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline
CID 161395896
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287921
N-(3-tert-butylphenyl)-16-carbazol-9-yl-N-(2,5-diphenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033229

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The IUPAC name of 5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine (CID 177082488) is 5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The canonical SMILES for 5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine is CC(C)(C)c1cccc(N(c2cc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)c2c(-c3ccccc3)cc(C(C)(C)C)cc2-c2ccccc2)c1.
What is the InChIKey of 5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
The InChIKey is BOFGRGFXJVFPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H79N3/c1-79(2,3)60-39-30-42-65(47-60)83(77-70(56-31-18-13-19-32-56)50-62(81(7,8)9)51-71(77)57-33-20-14-21-34-57)67-48-61(80(4,5)6)49-68(54-67)84(66-45-46-76-74(55-66)69-43-28-29-44-75(69)85(76)64-40-26-17-27-41-64)78-72(58-35-22-15-23-36-58)52-63(82(10,11)12)53-73(78)59-37-24-16-25-38-59/h13-55H,1-12H3.
What are the key properties of 5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine?
5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine has a molecular weight of 1106.56 g/mol, XLogP of 23.58, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-N,3-N-bis(4-tert-butyl-2,6-diphenylphenyl)-1-N-(3-tert-butylphenyl)-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 177082488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).