9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole

C63H39N5 — CID 119078686

IUPAC9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6ccccc65)ccc3-c3ccc(-n5c6ccccc6c6ccccc65)cc3-c3ccccc3-4)n2)cc1
InChIInChI=1S/C63H39N5/c1-3-17-40(18-4-1)61-64-62(41-19-5-2-6-20-41)66-63(65-61)42-31-34-47-45-21-7-8-22-46(45)55-38-43(67-57-27-13-9-23-50(57)51-24-10-14-28-58(51)67)32-35-48(55)49-36-33-44(39-56(49)54(47)37-42)68-59-29-15-11-25-52(59)53-26-12-16-30-60(53)68/h1-39H/b47-45-,49-48-,55-46-,56-54-
InChIKeySBCQZRIICUADID-FDYQYEMRSA-N
MW866.04 g/mol
LogP16.05
Rot. Bonds5

About 9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole

9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole (PubChem CID 119078686) has the molecular formula C63H39N5 and a molecular weight of 866.04 g/mol. Its IUPAC name is 9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole.

Molecular Properties

Compound Name9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
PubChem CID119078686
Molecular FormulaC63H39N5
Molecular Weight866.04 g/mol
Exact Mass865.32
IUPAC Name9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6ccccc65)ccc3-c3ccc(-n5c6ccccc6c6ccccc65)cc3-c3ccccc3-4)n2)cc1
InChIInChI=1S/C63H39N5/c1-3-17-40(18-4-1)61-64-62(41-19-5-2-6-20-41)66-63(65-61)42-31-34-47-45-21-7-8-22-46(45)55-38-43(67-57-27-13-9-23-50(57)51-24-10-14-28-58(51)67)32-35-48(55)49-36-33-44(39-56(49)54(47)37-42)68-59-29-15-11-25-52(59)53-26-12-16-30-60(53)68/h1-39H/b47-45-,49-48-,55-46-,56-54-
InChIKeySBCQZRIICUADID-FDYQYEMRSA-N
XLogP16.05
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.04
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole
CID 166504730
3-carbazol-9-yl-9-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 142597402
10-carbazol-9-yl-23-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 121446911
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 121386013
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
9-[4-[4-[4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 176632540

Frequently Asked Questions

What is the IUPAC name of 9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole?
The IUPAC name of 9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole (CID 119078686) is 9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole.
What is the SMILES notation for 9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole?
The canonical SMILES for 9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc(-n5c6ccccc6c6ccccc65)ccc3-c3ccc(-n5c6ccccc6c6ccccc65)cc3-c3ccccc3-4)n2)cc1.
What is the InChIKey of 9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole?
The InChIKey is SBCQZRIICUADID-FDYQYEMRSA-N. The full InChI is InChI=1S/C63H39N5/c1-3-17-40(18-4-1)61-64-62(41-19-5-2-6-20-41)66-63(65-61)42-31-34-47-45-21-7-8-22-46(45)55-38-43(67-57-27-13-9-23-50(57)51-24-10-14-28-58(51)67)32-35-48(55)49-36-33-44(39-56(49)54(47)37-42)68-59-29-15-11-25-52(59)53-26-12-16-30-60(53)68/h1-39H/b47-45-,49-48-,55-46-,56-54-.
What are the key properties of 9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole?
9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole has a molecular weight of 866.04 g/mol, XLogP of 16.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole is sourced from PubChem (CID 119078686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).