9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole

C67H49N5 — CID 167285139

IUPAC9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-n2c3ccc(-c4ccccc4-c4ccccc4)cc3c3cc(-c4ccccc4-c4ccccc4)ccc32)n1
InChIInChI=1S/C67H49N5/c1-67(2,3)49-37-40-61-58(43-49)54-31-17-19-33-59(54)71(61)60-34-20-18-32-55(60)65-68-64(46-25-11-6-12-26-46)69-66(70-65)72-62-38-35-47(52-29-15-13-27-50(52)44-21-7-4-8-22-44)41-56(62)57-42-48(36-39-63(57)72)53-30-16-14-28-51(53)45-23-9-5-10-24-45/h4-43H,1-3H3
InChIKeyWOUHWCBSBPINFQ-UHFFFAOYSA-N
MW924.16 g/mol
LogP17.37
Rot. Bonds8

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

9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole (PubChem CID 167285139) has the molecular formula C67H49N5 and a molecular weight of 924.16 g/mol. Its IUPAC name is 9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole
PubChem CID167285139
Molecular FormulaC67H49N5
Molecular Weight924.16 g/mol
Exact Mass923.40
IUPAC Name9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-n2c3ccc(-c4ccccc4-c4ccccc4)cc3c3cc(-c4ccccc4-c4ccccc4)ccc32)n1
InChIInChI=1S/C67H49N5/c1-67(2,3)49-37-40-61-58(43-49)54-31-17-19-33-59(54)71(61)60-34-20-18-32-55(60)65-68-64(46-25-11-6-12-26-46)69-66(70-65)72-62-38-35-47(52-29-15-13-27-50(52)44-21-7-4-8-22-44)41-56(62)57-42-48(36-39-63(57)72)53-30-16-14-28-51(53)45-23-9-5-10-24-45/h4-43H,1-3H3
InChIKeyWOUHWCBSBPINFQ-UHFFFAOYSA-N
XLogP17.37
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.16
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142543965
3-tert-butyl-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463309
9-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylcarbazole
CID 167032287
3,6-ditert-butyl-9-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153459784
9-[2-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]phenyl]-3,6-ditert-butylcarbazole
CID 155636636
2-tert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-tert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2,7-ditert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-ditert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158906827
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-ditert-butylcarbazole
CID 137414629
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 146573232
9-[2-[3-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-phenylcarbazole
CID 155636561
3,6-ditert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-bis(3-phenylcarbazol-9-yl)pyrimidin-2-yl]carbazole
CID 153461388
3,6-ditert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549530
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole?
The IUPAC name of 9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole (CID 167285139) is 9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole.
What is the SMILES notation for 9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole?
The canonical SMILES for 9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-n2c3ccc(-c4ccccc4-c4ccccc4)cc3c3cc(-c4ccccc4-c4ccccc4)ccc32)n1.
What is the InChIKey of 9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole?
The InChIKey is WOUHWCBSBPINFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H49N5/c1-67(2,3)49-37-40-61-58(43-49)54-31-17-19-33-59(54)71(61)60-34-20-18-32-55(60)65-68-64(46-25-11-6-12-26-46)69-66(70-65)72-62-38-35-47(52-29-15-13-27-50(52)44-21-7-4-8-22-44)41-56(62)57-42-48(36-39-63(57)72)53-30-16-14-28-51(53)45-23-9-5-10-24-45/h4-43H,1-3H3.
What are the key properties of 9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole?
9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole has a molecular weight of 924.16 g/mol, XLogP of 17.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(3-tert-butylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3,6-bis(2-phenylphenyl)carbazole is sourced from PubChem (CID 167285139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).