3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine

C66H53N3S2 — CID 139573298

IUPAC3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc7c(c6)sc6ccccc67)cc5n(-c5ccccc5)c4cc3c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C66H53N3S2/c1-65(2,3)44-21-26-47(27-22-44)67(51-31-34-56-54-16-10-12-18-61(54)70-63(56)40-51)49-25-20-42-37-58-53-33-30-50(39-60(53)69(46-14-8-7-9-15-46)59(58)38-43(42)36-49)68(48-28-23-45(24-29-48)66(4,5)6)52-32-35-57-55-17-11-13-19-62(55)71-64(57)41-52/h7-41H,1-6H3
InChIKeyIJHBMKNOXGUNRU-UHFFFAOYSA-N
MW952.31 g/mol
LogP20.21
Rot. Bonds7

About 3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine

3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine (PubChem CID 139573298) has the molecular formula C66H53N3S2 and a molecular weight of 952.31 g/mol. Its IUPAC name is 3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine.

Molecular Properties

Compound Name3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine
PubChem CID139573298
Molecular FormulaC66H53N3S2
Molecular Weight952.31 g/mol
Exact Mass951.37
IUPAC Name3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc7c(c6)sc6ccccc67)cc5n(-c5ccccc5)c4cc3c2)c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C66H53N3S2/c1-65(2,3)44-21-26-47(27-22-44)67(51-31-34-56-54-16-10-12-18-61(54)70-63(56)40-51)49-25-20-42-37-58-53-33-30-50(39-60(53)69(46-14-8-7-9-15-46)59(58)38-43(42)36-49)68(48-28-23-45(24-29-48)66(4,5)6)52-32-35-57-55-17-11-13-19-62(55)71-64(57)41-52/h7-41H,1-6H3
InChIKeyIJHBMKNOXGUNRU-UHFFFAOYSA-N
XLogP20.21
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.31
LogP ≤ 520.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-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

7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 158854715
10-N-dibenzothiophen-3-yl-3-N,3-N,10-N,15-tetraphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 90125614
N-chrysen-3-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138584
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
3-N,8-N-bis(4-tert-butylphenyl)-5-(3,5-dimethylphenyl)-3-N,8-N-diphenylbenzo[b]carbazole-3,8-diamine
CID 139573418
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 90050804
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-bis(9,9-dimethylfluoren-2-yl)-5-phenylbenzo[b]carbazole-3,8-diamine
CID 139573299
N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
CID 90050702
N-chrysen-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 170138992
N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033935
2-N-dibenzothiophen-3-yl-2-N,7-N,7-N-triphenylphenanthrene-2,7-diamine
CID 170410437
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
CID 175613227

Frequently Asked Questions

What is the IUPAC name of 3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine?
The IUPAC name of 3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine (CID 139573298) is 3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine.
What is the SMILES notation for 3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine?
The canonical SMILES for 3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine is CC(C)(C)c1ccc(N(c2ccc3cc4c5ccc(N(c6ccc(C(C)(C)C)cc6)c6ccc7c(c6)sc6ccccc67)cc5n(-c5ccccc5)c4cc3c2)c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of 3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine?
The InChIKey is IJHBMKNOXGUNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H53N3S2/c1-65(2,3)44-21-26-47(27-22-44)67(51-31-34-56-54-16-10-12-18-61(54)70-63(56)40-51)49-25-20-42-37-58-53-33-30-50(39-60(53)69(46-14-8-7-9-15-46)59(58)38-43(42)36-49)68(48-28-23-45(24-29-48)66(4,5)6)52-32-35-57-55-17-11-13-19-62(55)71-64(57)41-52/h7-41H,1-6H3.
What are the key properties of 3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine?
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine has a molecular weight of 952.31 g/mol, XLogP of 20.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-di(dibenzothiophen-3-yl)-5-phenylbenzo[b]carbazole-3,8-diamine is sourced from PubChem (CID 139573298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).