2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

C65H56N6 — CID 135131328

IUPAC2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(N(c2ccccc2)c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C65H56N6/c1-64(2,3)48-37-39-56-54(43-48)55-44-49(65(4,5)6)38-40-57(55)71(56)60-58(69(50-29-17-9-18-30-50)51-31-19-10-20-32-51)41-47(42-59(60)70(52-33-21-11-22-34-52)53-35-23-12-24-36-53)63-67-61(45-25-13-7-14-26-45)66-62(68-63)46-27-15-8-16-28-46/h7-44H,1-6H3
InChIKeyPJRCBXUPVUQHKG-UHFFFAOYSA-N
MW921.21 g/mol
LogP17.50
Rot. Bonds10

About 2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine

2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (PubChem CID 135131328) has the molecular formula C65H56N6 and a molecular weight of 921.21 g/mol. Its IUPAC name is 2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
PubChem CID135131328
Molecular FormulaC65H56N6
Molecular Weight921.21 g/mol
Exact Mass920.46
IUPAC Name2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(N(c2ccccc2)c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C65H56N6/c1-64(2,3)48-37-39-56-54(43-48)55-44-49(65(4,5)6)38-40-57(55)71(56)60-58(69(50-29-17-9-18-30-50)51-31-19-10-20-32-51)41-47(42-59(60)70(52-33-21-11-22-34-52)53-35-23-12-24-36-53)63-67-61(45-25-13-7-14-26-45)66-62(68-63)46-27-15-8-16-28-46/h7-44H,1-6H3
InChIKeyPJRCBXUPVUQHKG-UHFFFAOYSA-N
XLogP17.50
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.21
LogP ≤ 517.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine with MolForge

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Related Compounds

9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146281005
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-diphenylphenyl]carbazole
CID 140903129
9-[2,6-bis(3-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-tert-butylcarbazole
CID 159670250
4-(3,6-ditert-butylcarbazol-9-yl)-N,N,2-triphenylaniline
CID 155317932
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-pyridin-4-ylphenyl]carbazole
CID 142560218
3,6-ditert-butyl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146280466
9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine
CID 58827498
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241
6-(3,6-ditert-butylcarbazol-9-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]pyren-1-amine
CID 167415567
3,6-ditert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 146654325
1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
CID 146281225

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The IUPAC name of 2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine (CID 135131328) is 2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine.
What is the SMILES notation for 2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The canonical SMILES for 2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(N(c2ccccc2)c2ccccc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
The InChIKey is PJRCBXUPVUQHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H56N6/c1-64(2,3)48-37-39-56-54(43-48)55-44-49(65(4,5)6)38-40-57(55)71(56)60-58(69(50-29-17-9-18-30-50)51-31-19-10-20-32-51)41-47(42-59(60)70(52-33-21-11-22-34-52)53-35-23-12-24-36-53)63-67-61(45-25-13-7-14-26-45)66-62(68-63)46-27-15-8-16-28-46/h7-44H,1-6H3.
What are the key properties of 2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine?
2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine has a molecular weight of 921.21 g/mol, XLogP of 17.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine is sourced from PubChem (CID 135131328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).