2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

C53H32N4O — CID 164736787

IUPAC2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc(-c6cccc7c6oc6c8ccccc8ccc76)c5)nc(-c5ccc6ccccc6c5)n4)cc32)cc1
InChIInChI=1S/C53H32N4O/c1-2-17-40(18-3-1)57-47-23-9-8-20-43(47)44-28-27-39(32-48(44)57)53-55-51(54-52(56-53)38-25-24-33-12-4-5-14-35(33)30-38)37-16-10-15-36(31-37)42-21-11-22-45-46-29-26-34-13-6-7-19-41(34)49(46)58-50(42)45/h1-32H
InChIKeyCRPIDYBBGAVYRN-UHFFFAOYSA-N
MW740.87 g/mol
LogP13.84
Rot. Bonds5

About 2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 164736787) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID164736787
Molecular FormulaC53H32N4O
Molecular Weight740.87 g/mol
Exact Mass740.26
IUPAC Name2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc(-c6cccc7c6oc6c8ccccc8ccc76)c5)nc(-c5ccc6ccccc6c5)n4)cc32)cc1
InChIInChI=1S/C53H32N4O/c1-2-17-40(18-3-1)57-47-23-9-8-20-43(47)44-28-27-39(32-48(44)57)53-55-51(54-52(56-53)38-25-24-33-12-4-5-14-35(33)30-38)37-16-10-15-36(31-37)42-21-11-22-45-46-29-26-34-13-6-7-19-41(34)49(46)58-50(42)45/h1-32H
InChIKeyCRPIDYBBGAVYRN-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.87
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 139342501
12-[10-[4-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-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 155042940
9-phenyl-2-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165375461
2-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342492
4-[4-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736762
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-naphthalen-2-ylcarbazole
CID 135144088
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-(4-phenylphenyl)carbazole
CID 154601855
2-[4-(5-naphtho[1,2-b][1]benzofuran-7-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736740
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,7-diphenylindolo[2,3-b]carbazole
CID 118020105
2-[3-[4-naphthalen-2-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 137401845
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
5-[10-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 167347739

Frequently Asked Questions

What is the IUPAC name of 2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 164736787) is 2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc(-c6cccc7c6oc6c8ccccc8ccc76)c5)nc(-c5ccc6ccccc6c5)n4)cc32)cc1.
What is the InChIKey of 2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is CRPIDYBBGAVYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-2-17-40(18-3-1)57-47-23-9-8-20-43(47)44-28-27-39(32-48(44)57)53-55-51(54-52(56-53)38-25-24-33-12-4-5-14-35(33)30-38)37-16-10-15-36(31-37)42-21-11-22-45-46-29-26-34-13-6-7-19-41(34)49(46)58-50(42)45/h1-32H.
What are the key properties of 2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 740.87 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-naphthalen-2-yl-6-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 164736787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).