4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole

C63H42N6 — CID 174274174

IUPAC4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)NC(n4c5ccccc5c5ccccc54)=N3)cc2)cc1
InChIInChI=1S/C63H42N6/c1-3-19-41(20-4-1)42-37-39-43(40-38-42)61-64-62(66-63(65-61)69-52-30-12-7-23-45(52)46-24-8-13-31-53(46)69)51-27-11-16-34-56(51)68-55-33-15-10-26-50(55)60-48(29-18-36-58(60)68)47-28-17-35-57-59(47)49-25-9-14-32-54(49)67(57)44-21-5-2-6-22-44/h1-40,62H,(H,64,65,66)
InChIKeyYLHCCKYKTLRHRT-UHFFFAOYSA-N
MW883.07 g/mol
LogP15.28
Rot. Bonds6

About 4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole

4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole (PubChem CID 174274174) has the molecular formula C63H42N6 and a molecular weight of 883.07 g/mol. Its IUPAC name is 4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
PubChem CID174274174
Molecular FormulaC63H42N6
Molecular Weight883.07 g/mol
Exact Mass882.35
IUPAC Name4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(C3=NC(c4ccccc4-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)NC(n4c5ccccc5c5ccccc54)=N3)cc2)cc1
InChIInChI=1S/C63H42N6/c1-3-19-41(20-4-1)42-37-39-43(40-38-42)61-64-62(66-63(65-61)69-52-30-12-7-23-45(52)46-24-8-13-31-53(46)69)51-27-11-16-34-56(51)68-55-33-15-10-26-50(55)60-48(29-18-36-58(60)68)47-28-17-35-57-59(47)49-25-9-14-32-54(49)67(57)44-21-5-2-6-22-44/h1-40,62H,(H,64,65,66)
InChIKeyYLHCCKYKTLRHRT-UHFFFAOYSA-N
XLogP15.28
TPSA51.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.07
LogP ≤ 515.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-3-phenyl-5-(9-phenylcarbazol-4-yl)carbazole
CID 174272126
1-[9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
CID 174274955
9-[2-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-5-(9-phenylcarbazol-4-yl)carbazole-1-carbonitrile
CID 174272506
5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273713
4-[9-[2-[6-dibenzothiophen-2-yl-4-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174274036
12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 167154477
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170138787
4-dibenzofuran-1-yl-9-[4-[2-[4-phenyl-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032127
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
5-[9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazol-4-yl]-3,9-diphenylcarbazole
CID 171596813
4-(9-phenylcarbazol-1-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 164821252
12-(4,7-diphenyl-1,8a-dihydropyrimido[4,5-d]pyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 137200403

Frequently Asked Questions

What is the IUPAC name of 4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The IUPAC name of 4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole (CID 174274174) is 4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole is c1ccc(-c2ccc(C3=NC(c4ccccc4-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)NC(n4c5ccccc5c5ccccc54)=N3)cc2)cc1.
What is the InChIKey of 4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
The InChIKey is YLHCCKYKTLRHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N6/c1-3-19-41(20-4-1)42-37-39-43(40-38-42)61-64-62(66-63(65-61)69-52-30-12-7-23-45(52)46-24-8-13-31-53(46)69)51-27-11-16-34-56(51)68-55-33-15-10-26-50(55)60-48(29-18-36-58(60)68)47-28-17-35-57-59(47)49-25-9-14-32-54(49)67(57)44-21-5-2-6-22-44/h1-40,62H,(H,64,65,66).
What are the key properties of 4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole?
4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole has a molecular weight of 883.07 g/mol, XLogP of 15.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[2-[6-carbazol-9-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 174274174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).