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

C51H30N4O — CID 163490540

IUPAC7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc3ccccc3c2-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-n3c4ccccc4c4c5ccccc5ccc43)n2)cc1
InChIInChI=1S/C51H30N4O/c1-2-12-31(13-3-1)39-25-22-32-14-7-9-19-38(32)48(39)50-52-49(36-24-27-45-41(29-36)42-28-34-16-4-5-17-35(34)30-46(42)56-45)53-51(54-50)55-43-21-11-10-20-40(43)47-37-18-8-6-15-33(37)23-26-44(47)55/h1-30H
InChIKeyCMGAANORSUOFLY-UHFFFAOYSA-N
MW714.83 g/mol
LogP13.33
Rot. Bonds4

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

7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole (PubChem CID 163490540) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole
PubChem CID163490540
Molecular FormulaC51H30N4O
Molecular Weight714.83 g/mol
Exact Mass714.24
IUPAC Name7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc3ccccc3c2-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-n3c4ccccc4c4c5ccccc5ccc43)n2)cc1
InChIInChI=1S/C51H30N4O/c1-2-12-31(13-3-1)39-25-22-32-14-7-9-19-38(32)48(39)50-52-49(36-24-27-45-41(29-36)42-28-34-16-4-5-17-35(34)30-46(42)56-45)53-51(54-50)55-43-21-11-10-20-40(43)47-37-18-8-6-15-33(37)23-26-44(47)55/h1-30H
InChIKeyCMGAANORSUOFLY-UHFFFAOYSA-N
XLogP13.33
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.83
LogP ≤ 513.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

12-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(3-phenylnaphthalen-1-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 163919421
7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166919043
4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 159816656
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
9-(4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 166916763
7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253549
8-dibenzofuran-2-yl-7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142571784
12-[4-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-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 166917242
3-(4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163772071
8-dibenzofuran-2-yl-7-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 142570296
2-(1-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(2-chrysen-3-ylnaphthalen-1-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(3-chrysen-3-ylnaphthalen-2-yl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 164959858
7-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-10-phenylbenzo[c]carbazole
CID 155485233

Frequently Asked Questions

What is the IUPAC name of 7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole?
The IUPAC name of 7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole (CID 163490540) is 7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole is c1ccc(-c2ccc3ccccc3c2-c2nc(-c3ccc4oc5cc6ccccc6cc5c4c3)nc(-n3c4ccccc4c4c5ccccc5ccc43)n2)cc1.
What is the InChIKey of 7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole?
The InChIKey is CMGAANORSUOFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-2-12-31(13-3-1)39-25-22-32-14-7-9-19-38(32)48(39)50-52-49(36-24-27-45-41(29-36)42-28-34-16-4-5-17-35(34)30-46(42)56-45)53-51(54-50)55-43-21-11-10-20-40(43)47-37-18-8-6-15-33(37)23-26-44(47)55/h1-30H.
What are the key properties of 7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole?
7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole has a molecular weight of 714.83 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-naphtho[2,3-b][1]benzofuran-2-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 163490540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).