3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine

C74H65ClN4OS — CID 176626698

IUPAC3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
SMILESCC(C)(C)c1ccc2scc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c5c(c4)oc4ccccc45)c3Cl)c2c1
InChIInChI=1S/C74H65ClN4OS/c1-72(2,3)48-34-37-61-58(40-48)59-41-49(73(4,5)6)35-38-62(59)79(61)63-43-56(46-68-70(63)57-32-22-23-33-67(57)80-68)77(53-28-18-12-19-29-53)64-44-55(76(51-24-14-10-15-25-51)52-26-16-11-17-27-52)45-65(71(64)75)78(54-30-20-13-21-31-54)66-47-81-69-39-36-50(42-60(66)69)74(7,8)9/h10-47H,1-9H3
InChIKeyAUWGXXZNYXJIBS-UHFFFAOYSA-N
MW1093.88 g/mol
LogP22.85
Rot. Bonds10

About 3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine

3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine (PubChem CID 176626698) has the molecular formula C74H65ClN4OS and a molecular weight of 1093.88 g/mol. Its IUPAC name is 3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
PubChem CID176626698
Molecular FormulaC74H65ClN4OS
Molecular Weight1093.88 g/mol
Exact Mass1092.46
IUPAC Name3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
SMILESCC(C)(C)c1ccc2scc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c5c(c4)oc4ccccc45)c3Cl)c2c1
InChIInChI=1S/C74H65ClN4OS/c1-72(2,3)48-34-37-61-58(40-48)59-41-49(73(4,5)6)35-38-62(59)79(61)63-43-56(46-68-70(63)57-32-22-23-33-67(57)80-68)77(53-28-18-12-19-29-53)64-44-55(76(51-24-14-10-15-25-51)52-26-16-11-17-27-52)45-65(71(64)75)78(54-30-20-13-21-31-54)66-47-81-69-39-36-50(42-60(66)69)74(7,8)9/h10-47H,1-9H3
InChIKeyAUWGXXZNYXJIBS-UHFFFAOYSA-N
XLogP22.85
TPSA27.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.88
LogP ≤ 522.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine with MolForge

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Related Compounds

N-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-tert-butyl-N-(4-tert-butylphenyl)-1-benzothiophen-3-amine
CID 177279179
2-N-[3-(4-tert-butyl-N-(5-tert-butyl-1-benzothiophen-3-yl)anilino)-2-chloro-5-methylphenyl]-2-N-(4-tert-butylphenyl)-9-methyl-4-N,4-N-bis(4-methylphenyl)carbazole-2,4-diamine
CID 171448722
N-(5-tert-butyl-1-benzothiophen-3-yl)-N-[2,3-dichloro-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine
CID 165170076
N-(5-tert-butyl-1-benzothiophen-3-yl)-N-[5-tert-butyl-2-chloro-3-(5,10,17-tritert-butyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-13-yl)phenyl]dibenzofuran-4-amine
CID 176813445
N-(4-tert-butylphenyl)-N-[2-chloro-3-(5,10-ditert-butyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)-5-methylphenyl]-5-phenyl-1-benzothiophen-3-amine
CID 176813483
25-tert-butyl-21-(4-tert-butylphenyl)-12-(3,6-ditert-butylcarbazol-9-yl)-N,N-diphenyl-4,15-dioxa-29-thia-21-aza-1-boraoctacyclo[14.14.1.02,14.03,11.05,10.020,31.022,30.023,28]hentriaconta-2(14),3(11),5,7,9,12,16,18,20(31),22(30),23(28),24,26-tridecaen-18-amine
CID 176626650
25-tert-butyl-12-(3,6-ditert-butylcarbazol-9-yl)-N,N,15,21-tetraphenyl-4-oxa-29-thia-15,21-diaza-1-boraoctacyclo[14.14.1.02,14.03,11.05,10.020,31.022,30.023,28]hentriaconta-2(14),3(11),5,7,9,12,16(31),17,19,22(30),23(28),24,26-tridecaen-18-amine
CID 176627030
N-[3-(4-bromo-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-tert-butyl-N-(4-tert-butylphenyl)-1-benzothiophen-3-amine
CID 177279218
25-tert-butyl-15,21-bis(4-tert-butylphenyl)-12-(3,6-ditert-butylcarbazol-9-yl)-N,N-diphenyl-4-oxa-29-thia-15,21-diaza-1-boraoctacyclo[14.14.1.02,14.03,11.05,10.020,31.022,30.023,28]hentriaconta-2(14),3(11),5,7,9,12,16(31),17,19,22(30),23(28),24,26-tridecaen-18-amine
CID 176626901
1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-(1-carbazol-9-yl-9,9-dimethylfluoren-4-yl)-2-chloro-5-N,5-N-diphenylbenzene-1,3,5-triamine
CID 176626904
4-chloro-3-N-(4-dibenzofuran-4-ylphenyl)-3-N-[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-1-N,1-N-diphenyl-5-(5,10,17-tritert-butyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaen-13-yl)benzene-1,3-diamine
CID 176813487
5-tert-butyl-3-N-[3-(N-(3-chlorodibenzofuran-1-yl)anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 164760005

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The IUPAC name of 3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine (CID 176626698) is 3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The canonical SMILES for 3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine is CC(C)(C)c1ccc2scc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(N(c4ccccc4)c4cc(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c5c(c4)oc4ccccc45)c3Cl)c2c1.
What is the InChIKey of 3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
The InChIKey is AUWGXXZNYXJIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H65ClN4OS/c1-72(2,3)48-34-37-61-58(40-48)59-41-49(73(4,5)6)35-38-62(59)79(61)63-43-56(46-68-70(63)57-32-22-23-33-67(57)80-68)77(53-28-18-12-19-29-53)64-44-55(76(51-24-14-10-15-25-51)52-26-16-11-17-27-52)45-65(71(64)75)78(54-30-20-13-21-31-54)66-47-81-69-39-36-50(42-60(66)69)74(7,8)9/h10-47H,1-9H3.
What are the key properties of 3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine?
3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine has a molecular weight of 1093.88 g/mol, XLogP of 22.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-tert-butyl-1-benzothiophen-3-yl)-2-chloro-1-N-[1-(3,6-ditert-butylcarbazol-9-yl)dibenzofuran-3-yl]-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 176626698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).