7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole

C47H28N4O — CID 167660567

IUPAC7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C47H28N4O/c1-3-14-30(15-4-1)45-48-46(31-16-5-2-6-17-31)50-47(49-45)39-28-38-37-27-32(24-26-42(37)52-44(38)35-20-10-9-19-34(35)39)51-40-22-12-11-21-36(40)43-33-18-8-7-13-29(33)23-25-41(43)51/h1-28H
InChIKeyPKCOVKCNEOYMAS-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.18
Rot. Bonds4

About 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole

7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole (PubChem CID 167660567) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole
PubChem CID167660567
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C47H28N4O/c1-3-14-30(15-4-1)45-48-46(31-16-5-2-6-17-31)50-47(49-45)39-28-38-37-27-32(24-26-42(37)52-44(38)35-20-10-9-19-34(35)39)51-40-22-12-11-21-36(40)43-33-18-8-7-13-29(33)23-25-41(43)51/h1-28H
InChIKeyPKCOVKCNEOYMAS-UHFFFAOYSA-N
XLogP12.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.77
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]carbazole
CID 167549147
7-[5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-10-yl]benzo[c]carbazole
CID 154968711
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
12-[6-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-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 162703674
9-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 171591736
5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-[1]benzothiolo[3,2-c]carbazole
CID 167562279
4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-dibenzofuran-2-ylcarbazole
CID 139556325
7-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]benzo[c]carbazole
CID 166496105
12-[6-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-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 163818534
7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253451
7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]benzo[c]carbazole;7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-[1]benzofuro[2,3-b]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]-2-phenylcarbazole
CID 167566631
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]carbazole
CID 146664768

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole?
The IUPAC name of 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole (CID 167660567) is 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole?
The canonical SMILES for 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5cc(-n6c7ccccc7c7c8ccccc8ccc76)ccc5oc4c4ccccc34)n2)cc1.
What is the InChIKey of 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole?
The InChIKey is PKCOVKCNEOYMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-3-14-30(15-4-1)45-48-46(31-16-5-2-6-17-31)50-47(49-45)39-28-38-37-27-32(24-26-42(37)52-44(38)35-20-10-9-19-34(35)39)51-40-22-12-11-21-36(40)43-33-18-8-7-13-29(33)23-25-41(43)51/h1-28H.
What are the key properties of 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole?
7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole has a molecular weight of 664.77 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-8-yl]benzo[c]carbazole is sourced from PubChem (CID 167660567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).