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

C49H33N5 — CID 166917771

IUPAC3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESC1=Cc2c(ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)c2-n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C49H33N5/c1-3-16-33(17-4-1)47-50-48(34-28-30-45-41(31-34)39-23-11-12-24-42(39)53(45)35-18-5-2-6-19-35)52-49(51-47)40-29-27-32-15-7-8-20-36(32)46(40)54-43-25-13-9-21-37(43)38-22-10-14-26-44(38)54/h1-6,8-14,16-31H,7,15H2
InChIKeyONQVUUHOFUAEJG-UHFFFAOYSA-N
MW691.84 g/mol
LogP12.03
Rot. Bonds5

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

3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 166917771) has the molecular formula C49H33N5 and a molecular weight of 691.84 g/mol. Its IUPAC name is 3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID166917771
Molecular FormulaC49H33N5
Molecular Weight691.84 g/mol
Exact Mass691.27
IUPAC Name3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESC1=Cc2c(ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)c2-n2c3ccccc3c3ccccc32)CC1
InChIInChI=1S/C49H33N5/c1-3-16-33(17-4-1)47-50-48(34-28-30-45-41(31-34)39-23-11-12-24-42(39)53(45)35-18-5-2-6-19-35)52-49(51-47)40-29-27-32-15-7-8-20-36(32)46(40)54-43-25-13-9-21-37(43)38-22-10-14-26-44(38)54/h1-6,8-14,16-31H,7,15H2
InChIKeyONQVUUHOFUAEJG-UHFFFAOYSA-N
XLogP12.03
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.84
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
3-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 142577035
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
5-[2-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621334
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-2-yl]-5-phenylindolo[3,2-b]carbazole
CID 170280570
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 155450072
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-(9-phenylcarbazol-3-yl)-1,8-diazahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-2,4,6,9,11,13(23),14(24),15,17,19,21-undecaene
CID 135280157
3-carbazol-9-yl-6-(1,2-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole
CID 168748082
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 166917771) is 3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is C1=Cc2c(ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)n3)c2-n2c3ccccc3c3ccccc32)CC1.
What is the InChIKey of 3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is ONQVUUHOFUAEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N5/c1-3-16-33(17-4-1)47-50-48(34-28-30-45-41(31-34)39-23-11-12-24-42(39)53(45)35-18-5-2-6-19-35)52-49(51-47)40-29-27-32-15-7-8-20-36(32)46(40)54-43-25-13-9-21-37(43)38-22-10-14-26-44(38)54/h1-6,8-14,16-31H,7,15H2.
What are the key properties of 3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 691.84 g/mol, XLogP of 12.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-carbazol-9-yl-5,6-dihydronaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 166917771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).