7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole

C47H28N4O — CID 155485233

IUPAC7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C47H28N4O/c1-3-13-29(14-4-1)32-24-25-39-37(27-32)42-34-19-9-7-15-30(34)23-26-40(42)51(39)47-49-45(31-16-5-2-6-17-31)48-46(50-47)38-28-33-18-8-10-20-35(33)43-36-21-11-12-22-41(36)52-44(38)43/h1-28H
InChIKeyIMHKKPPKCWNTAC-UHFFFAOYSA-N
MW664.77 g/mol
LogP12.18
Rot. Bonds4

About 7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole

7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole (PubChem CID 155485233) has the molecular formula C47H28N4O and a molecular weight of 664.77 g/mol. Its IUPAC name is 7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole.

Molecular Properties

Compound Name7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole
PubChem CID155485233
Molecular FormulaC47H28N4O
Molecular Weight664.77 g/mol
Exact Mass664.23
IUPAC Name7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C47H28N4O/c1-3-13-29(14-4-1)32-24-25-39-37(27-32)42-34-19-9-7-15-30(34)23-26-40(42)51(39)47-49-45(31-16-5-2-6-17-31)48-46(50-47)38-28-33-18-8-10-20-35(33)43-36-21-11-12-22-41(36)52-44(38)43/h1-28H
InChIKeyIMHKKPPKCWNTAC-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

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-10-phenylbenzo[c]carbazole
CID 164847819
7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-(4-phenylphenyl)benzo[c]carbazole
CID 164847964
5-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 155485303
10-naphthalen-1-yl-7-(4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 155485454
7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylbenzo[c]carbazole
CID 118133197
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyldibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 166495798
7-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-10-phenylbenzo[c]carbazole
CID 160548557
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-(4-naphtho[2,1-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 155485428
12-[1-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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 164714640
12-(4-naphthalen-2-yl-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163618380

Frequently Asked Questions

What is the IUPAC name of 7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole?
The IUPAC name of 7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole (CID 155485233) is 7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole.
What is the SMILES notation for 7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole?
The canonical SMILES for 7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole is c1ccc(-c2ccc3c(c2)c2c4ccccc4ccc2n3-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole?
The InChIKey is IMHKKPPKCWNTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N4O/c1-3-13-29(14-4-1)32-24-25-39-37(27-32)42-34-19-9-7-15-30(34)23-26-40(42)51(39)47-49-45(31-16-5-2-6-17-31)48-46(50-47)38-28-33-18-8-10-20-35(33)43-36-21-11-12-22-41(36)52-44(38)43/h1-28H.
What are the key properties of 7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole?
7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[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-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole is sourced from PubChem (CID 155485233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).