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

C65H41N5O — CID 155430510

IUPAC5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cc4ccccc4c4oc5ccccc5c34)N=C(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)N2)cc1
InChIInChI=1S/C65H41N5O/c1-3-17-40(18-4-1)63-66-64(44-31-34-58-53(37-44)48-25-11-14-28-56(48)69(58)45-22-5-2-6-23-45)68-65(67-63)50-33-32-46(70-57-29-15-12-26-49(57)54-35-41-19-7-8-20-42(41)38-59(54)70)39-52(50)55-36-43-21-9-10-24-47(43)62-61(55)51-27-13-16-30-60(51)71-62/h1-39,63H,(H,66,67,68)
InChIKeyBDBUNUSIWHGVEW-UHFFFAOYSA-N
MW908.08 g/mol
LogP16.25
Rot. Bonds6

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

5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole (PubChem CID 155430510) has the molecular formula C65H41N5O and a molecular weight of 908.08 g/mol. Its IUPAC name is 5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
PubChem CID155430510
Molecular FormulaC65H41N5O
Molecular Weight908.08 g/mol
Exact Mass907.33
IUPAC Name5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole
SMILESc1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cc4ccccc4c4oc5ccccc5c34)N=C(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)N2)cc1
InChIInChI=1S/C65H41N5O/c1-3-17-40(18-4-1)63-66-64(44-31-34-58-53(37-44)48-25-11-14-28-56(48)69(58)45-22-5-2-6-23-45)68-65(67-63)50-33-32-46(70-57-29-15-12-26-49(57)54-35-41-19-7-8-20-42(41)38-59(54)70)39-52(50)55-36-43-21-9-10-24-47(43)62-61(55)51-27-13-16-30-60(51)71-62/h1-39,63H,(H,66,67,68)
InChIKeyBDBUNUSIWHGVEW-UHFFFAOYSA-N
XLogP16.25
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.08
LogP ≤ 516.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]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
5-[4-(6-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-3-naphtho[2,1-b][1]benzofuran-11-ylphenyl]benzo[b]carbazole
CID 155430303
5-[3-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166700065
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-[5-[2-phenyl-4-(9-phenylcarbazol-1-yl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[1,2-b][1]benzofuran-6-yl]benzo[b]carbazole
CID 166700359
3-dibenzofuran-4-yl-9-[3-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]phenyl]carbazole
CID 170137075
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-[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
3-[9-[3-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]dibenzofuran-2-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 162698987
5-[3-dibenzothiophen-4-yl-4-(6-phenanthren-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155430839
5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166700234

Frequently Asked Questions

What is the IUPAC name of 5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
The IUPAC name of 5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole (CID 155430510) is 5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole.
What is the SMILES notation for 5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
The canonical SMILES for 5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole is c1ccc(C2N=C(c3ccc(-n4c5ccccc5c5cc6ccccc6cc54)cc3-c3cc4ccccc4c4oc5ccccc5c34)N=C(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)N2)cc1.
What is the InChIKey of 5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
The InChIKey is BDBUNUSIWHGVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N5O/c1-3-17-40(18-4-1)63-66-64(44-31-34-58-53(37-44)48-25-11-14-28-56(48)69(58)45-22-5-2-6-23-45)68-65(67-63)50-33-32-46(70-57-29-15-12-26-49(57)54-35-41-19-7-8-20-42(41)38-59(54)70)39-52(50)55-36-43-21-9-10-24-47(43)62-61(55)51-27-13-16-30-60(51)71-62/h1-39,63H,(H,66,67,68).
What are the key properties of 5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole?
5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole has a molecular weight of 908.08 g/mol, XLogP of 16.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-naphtho[1,2-b][1]benzofuran-6-yl-4-[2-phenyl-6-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155430510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).