5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole

C59H37N5 — CID 155450072

IUPAC5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1
InChIInChI=1S/C59H37N5/c1-4-18-38(19-5-1)48-37-51(44-26-12-13-29-47(44)56(48)64-53-31-17-15-28-46(53)50-34-40-22-10-11-23-41(40)36-55(50)64)59-61-57(39-20-6-2-7-21-39)60-58(62-59)42-32-33-54-49(35-42)45-27-14-16-30-52(45)63(54)43-24-8-3-9-25-43/h1-37H
InChIKeyYLWIJLBTFJPGOZ-UHFFFAOYSA-N
MW815.98 g/mol
LogP15.04
Rot. Bonds6

About 5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole

5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole (PubChem CID 155450072) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
PubChem CID155450072
Molecular FormulaC59H37N5
Molecular Weight815.98 g/mol
Exact Mass815.30
IUPAC Name5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1
InChIInChI=1S/C59H37N5/c1-4-18-38(19-5-1)48-37-51(44-26-12-13-29-47(44)56(48)64-53-31-17-15-28-46(53)50-34-40-22-10-11-23-41(40)36-55(50)64)59-61-57(39-20-6-2-7-21-39)60-58(62-59)42-32-33-54-49(35-42)45-27-14-16-30-52(45)63(54)43-24-8-3-9-25-43/h1-37H
InChIKeyYLWIJLBTFJPGOZ-UHFFFAOYSA-N
XLogP15.04
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621334
5-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 155451004
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155450281
12-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155451060
5-[2-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621118
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621053
5-[2-(4-phenylphenyl)-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155450759
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
3-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 139342070
16-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 138654369
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947

Frequently Asked Questions

What is the IUPAC name of 5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The IUPAC name of 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) is 5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccccc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1.
What is the InChIKey of 5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
The InChIKey is YLWIJLBTFJPGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-4-18-38(19-5-1)48-37-51(44-26-12-13-29-47(44)56(48)64-53-31-17-15-28-46(53)50-34-40-22-10-11-23-41(40)36-55(50)64)59-61-57(39-20-6-2-7-21-39)60-58(62-59)42-32-33-54-49(35-42)45-27-14-16-30-52(45)63(54)43-24-8-3-9-25-43/h1-37H.
What are the key properties of 5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole?
5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole has a molecular weight of 815.98 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-phenyl-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole is sourced from PubChem (CID 155450072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).