12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole

C52H34N4 — CID 169058434

IUPAC12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C7)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C52H34N4/c1-3-12-34(13-4-1)36-22-24-37(25-23-36)50-53-51(55-52(54-50)42-18-11-17-39(32-42)35-14-5-2-6-15-35)38-26-29-43(30-27-38)56-47-21-10-9-20-45(47)46-31-28-41-33-40-16-7-8-19-44(40)48(41)49(46)56/h1-32H,33H2
InChIKeyLSFIQEAOKMWAAA-UHFFFAOYSA-N
MW714.87 g/mol
LogP12.87
Rot. Bonds6

About 12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole

12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole (PubChem CID 169058434) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole.

Molecular Properties

Compound Name12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole
PubChem CID169058434
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C7)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C52H34N4/c1-3-12-34(13-4-1)36-22-24-37(25-23-36)50-53-51(55-52(54-50)42-18-11-17-39(32-42)35-14-5-2-6-15-35)38-26-29-43(30-27-38)56-47-21-10-9-20-45(47)46-31-28-41-33-40-16-7-8-19-44(40)48(41)49(46)56/h1-32H,33H2
InChIKeyLSFIQEAOKMWAAA-UHFFFAOYSA-N
XLogP12.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
CID 154618882
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362852
12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037027
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
12-(4-methylphenyl)-7H-indeno[1,2-a]carbazole
CID 159826504
3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-4-yl]-9-phenylcarbazole
CID 158375746
9-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155156244
9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
12-(4-phenylphenyl)-18-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701777
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445

Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole?
The IUPAC name of 12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole (CID 169058434) is 12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole.
What is the SMILES notation for 12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole?
The canonical SMILES for 12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6ccc7c(c65)-c5ccccc5C7)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cc2)cc1.
What is the InChIKey of 12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole?
The InChIKey is LSFIQEAOKMWAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-12-34(13-4-1)36-22-24-37(25-23-36)50-53-51(55-52(54-50)42-18-11-17-39(32-42)35-14-5-2-6-15-35)38-26-29-43(30-27-38)56-47-21-10-9-20-45(47)46-31-28-41-33-40-16-7-8-19-44(40)48(41)49(46)56/h1-32H,33H2.
What are the key properties of 12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole?
12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole has a molecular weight of 714.87 g/mol, XLogP of 12.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7H-indeno[1,2-a]carbazole is sourced from PubChem (CID 169058434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).