1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole

C69H62N4 — CID 146281225

IUPAC1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1n2-c1c(-c2ccc(-c3ccccc3)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C69H62N4/c1-67(2,3)54-38-39-61-58(42-54)59-43-55(68(4,5)6)44-60(69(7,8)9)63(59)73(61)62-56(49-34-30-47(31-35-49)45-22-14-10-15-23-45)40-53(41-57(62)50-36-32-48(33-37-50)46-24-16-11-17-25-46)66-71-64(51-26-18-12-19-27-51)70-65(72-66)52-28-20-13-21-29-52/h10-44H,1-9H3
InChIKeyMHICVNLPIJQXRC-UHFFFAOYSA-N
MW947.28 g/mol
LogP18.53
Rot. Bonds8

About 1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole

1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole (PubChem CID 146281225) has the molecular formula C69H62N4 and a molecular weight of 947.28 g/mol. Its IUPAC name is 1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
PubChem CID146281225
Molecular FormulaC69H62N4
Molecular Weight947.28 g/mol
Exact Mass946.50
IUPAC Name1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1n2-c1c(-c2ccc(-c3ccccc3)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C69H62N4/c1-67(2,3)54-38-39-61-58(42-54)59-43-55(68(4,5)6)44-60(69(7,8)9)63(59)73(61)62-56(49-34-30-47(31-35-49)45-22-14-10-15-23-45)40-53(41-57(62)50-36-32-48(33-37-50)46-24-16-11-17-25-46)66-71-64(51-26-18-12-19-27-51)70-65(72-66)52-28-20-13-21-29-52/h10-44H,1-9H3
InChIKeyMHICVNLPIJQXRC-UHFFFAOYSA-N
XLogP18.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.28
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,6-tritert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146280540
1-tert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 146280895
4-[3,5-diphenyl-4-(1,3,6-tritert-butylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 146280712
3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 146281005
16,21-ditert-butyl-5-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-3-phenyl-1-azahexacyclo[12.10.1.18,12.02,7.018,25.019,24]hexacosa-2,4,6,8(26),9,11,14,16,18(25),19(24),20,22-dodecaene
CID 155179795
1-(4-tert-butylphenyl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,2,7,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6,8-tetraphenylcarbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-1,3,6-triphenylcarbazole
CID 159141335
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-ditert-butylcarbazole
CID 149127050
9-[2-(4-tert-butylphenyl)-6-phenyl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3,6-diphenylcarbazole
CID 146281192
9-[4-[4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-bis(4-phenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 167403537
3,6-ditert-butyl-9-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153459784
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241
3,6-ditert-butyl-9-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
CID 146281036

Frequently Asked Questions

What is the IUPAC name of 1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole?
The IUPAC name of 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) is 1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole.
What is the SMILES notation for 1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole?
The canonical SMILES for 1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)cc(C(C)(C)C)c1n2-c1c(-c2ccc(-c3ccccc3)cc2)cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole?
The InChIKey is MHICVNLPIJQXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H62N4/c1-67(2,3)54-38-39-61-58(42-54)59-43-55(68(4,5)6)44-60(69(7,8)9)63(59)73(61)62-56(49-34-30-47(31-35-49)45-22-14-10-15-23-45)40-53(41-57(62)50-36-32-48(33-37-50)46-24-16-11-17-25-46)66-71-64(51-26-18-12-19-27-51)70-65(72-66)52-28-20-13-21-29-52/h10-44H,1-9H3.
What are the key properties of 1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole?
1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole has a molecular weight of 947.28 g/mol, XLogP of 18.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-tritert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]carbazole is sourced from PubChem (CID 146281225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).