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

C63H37N5O — CID 167347672

IUPAC5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6c(c5)oc5cc7ccccc7cc56)nc(-c5cccc6ccccc56)n4)cc32)cc1
InChIInChI=1S/C63H37N5O/c1-2-21-45(22-3-1)67-53-27-12-10-24-47(53)49-30-29-43(34-55(49)67)61-64-62(66-63(65-61)50-26-14-20-38-15-8-9-23-46(38)50)44-35-57(60-52-32-40-17-5-7-19-42(40)36-58(52)69-59(60)37-44)68-54-28-13-11-25-48(54)51-31-39-16-4-6-18-41(39)33-56(51)68/h1-37H
InChIKeyBJWWBIVAJNZSDA-UHFFFAOYSA-N
MW880.02 g/mol
LogP16.43
Rot. Bonds5

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

5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole (PubChem CID 167347672) has the molecular formula C63H37N5O and a molecular weight of 880.02 g/mol. Its IUPAC name is 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
PubChem CID167347672
Molecular FormulaC63H37N5O
Molecular Weight880.02 g/mol
Exact Mass879.30
IUPAC Name5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6c(c5)oc5cc7ccccc7cc56)nc(-c5cccc6ccccc56)n4)cc32)cc1
InChIInChI=1S/C63H37N5O/c1-2-21-45(22-3-1)67-53-27-12-10-24-47(53)49-30-29-43(34-55(49)67)61-64-62(66-63(65-61)50-26-14-20-38-15-8-9-23-46(38)50)44-35-57(60-52-32-40-17-5-7-19-42(40)36-58(52)69-59(60)37-44)68-54-28-13-11-25-48(54)51-31-39-16-4-6-18-41(39)33-56(51)68/h1-37H
InChIKeyBJWWBIVAJNZSDA-UHFFFAOYSA-N
XLogP16.43
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.02
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700089
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700020
5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699141
2-(4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 161127098
5-[1-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 164714953
5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347698
5-[3-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347971
12-[3-[4-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 166699540
5-[3-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347413
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947
5-[3-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167348095
5-[2-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-3-yl]benzo[b]carbazole
CID 167043514

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole (CID 167347672) is 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cc(-n6c7ccccc7c7cc8ccccc8cc76)c6c(c5)oc5cc7ccccc7cc56)nc(-c5cccc6ccccc56)n4)cc32)cc1.
What is the InChIKey of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
The InChIKey is BJWWBIVAJNZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N5O/c1-2-21-45(22-3-1)67-53-27-12-10-24-47(53)49-30-29-43(34-55(49)67)61-64-62(66-63(65-61)50-26-14-20-38-15-8-9-23-46(38)50)44-35-57(60-52-32-40-17-5-7-19-42(40)36-58(52)69-59(60)37-44)68-54-28-13-11-25-48(54)51-31-39-16-4-6-18-41(39)33-56(51)68/h1-37H.
What are the key properties of 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole?
5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole has a molecular weight of 880.02 g/mol, XLogP of 16.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 167347672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).