5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

C63H39N5O — CID 166699900

IUPAC5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(C4=NC(c5ccc6ccccc6c5)NC(c5cc(-n6c7ccccc7c7cc8ccccc8cc76)cc6oc7c8ccccc8ccc7c56)=N4)cc32)cc1
InChIInChI=1S/C63H39N5O/c1-2-19-45(20-3-1)67-54-24-12-10-22-48(54)50-30-29-44(35-56(50)67)62-64-61(43-27-26-38-14-4-5-16-40(38)32-43)65-63(66-62)53-36-46(37-58-59(53)51-31-28-39-15-8-9-21-47(39)60(51)69-58)68-55-25-13-11-23-49(55)52-33-41-17-6-7-18-42(41)34-57(52)68/h1-37,61H,(H,64,65,66)
InChIKeyBWCQTUJLBXSVGM-UHFFFAOYSA-N
MW882.04 g/mol
LogP15.74
Rot. Bonds5

About 5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole

5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (PubChem CID 166699900) has the molecular formula C63H39N5O and a molecular weight of 882.04 g/mol. Its IUPAC name is 5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
PubChem CID166699900
Molecular FormulaC63H39N5O
Molecular Weight882.04 g/mol
Exact Mass881.32
IUPAC Name5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(C4=NC(c5ccc6ccccc6c5)NC(c5cc(-n6c7ccccc7c7cc8ccccc8cc76)cc6oc7c8ccccc8ccc7c56)=N4)cc32)cc1
InChIInChI=1S/C63H39N5O/c1-2-19-45(20-3-1)67-54-24-12-10-22-48(54)50-30-29-44(35-56(50)67)62-64-61(43-27-26-38-14-4-5-16-40(38)32-43)65-63(66-62)53-36-46(37-58-59(53)51-31-28-39-15-8-9-21-47(39)60(51)69-58)68-55-25-13-11-23-49(55)52-33-41-17-6-7-18-42(41)34-57(52)68/h1-37,61H,(H,64,65,66)
InChIKeyBWCQTUJLBXSVGM-UHFFFAOYSA-N
XLogP15.74
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.04
LogP ≤ 515.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole with MolForge

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Related Compounds

5-[1-[4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166699587
5-[1-[4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167043225
12-[1-[2-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-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 167043912
5-[4-[4-naphthalen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699268
12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-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 166700730
5-[8-[4-naphthalen-1-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166699432
5-[1-[4-dibenzofuran-4-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 166700494
5-[7-(2,4-dinaphthalen-2-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 146395931
12-[1-[4-dibenzothiophen-3-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-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 167043643
12-[1-[2,4-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-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 166700545
3-[3-(4-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938549
5-[2-(2-naphthalen-2-yl-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 166700313

Frequently Asked Questions

What is the IUPAC name of 5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
The IUPAC name of 5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole (CID 166699900) is 5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
The canonical SMILES for 5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is c1ccc(-n2c3ccccc3c3ccc(C4=NC(c5ccc6ccccc6c5)NC(c5cc(-n6c7ccccc7c7cc8ccccc8cc76)cc6oc7c8ccccc8ccc7c56)=N4)cc32)cc1.
What is the InChIKey of 5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
The InChIKey is BWCQTUJLBXSVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5O/c1-2-19-45(20-3-1)67-54-24-12-10-22-48(54)50-30-29-44(35-56(50)67)62-64-61(43-27-26-38-14-4-5-16-40(38)32-43)65-63(66-62)53-36-46(37-58-59(53)51-31-28-39-15-8-9-21-47(39)60(51)69-58)68-55-25-13-11-23-49(55)52-33-41-17-6-7-18-42(41)34-57(52)68/h1-37,61H,(H,64,65,66).
What are the key properties of 5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole?
5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole has a molecular weight of 882.04 g/mol, XLogP of 15.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[2-naphthalen-2-yl-4-(9-phenylcarbazol-2-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-9-yl]benzo[b]carbazole is sourced from PubChem (CID 166699900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).