2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole

C67H40N6O2 — CID 147387769

IUPAC2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3nc(-c4ccc5ccc(-c6nc7ccccc7o6)cc5c4)nc(-c4ccc5ccc(-c6nc7ccccc7o6)cc5c4)n3)c2)cc1
InChIInChI=1S/C67H40N6O2/c1-3-12-41(13-4-1)45-30-32-59-55(39-45)56-40-46(42-14-5-2-6-15-42)31-33-60(56)73(59)54-17-11-16-47(38-54)63-70-64(48-26-22-43-24-28-50(36-52(43)34-48)66-68-57-18-7-9-20-61(57)74-66)72-65(71-63)49-27-23-44-25-29-51(37-53(44)35-49)67-69-58-19-8-10-21-62(58)75-67/h1-40H
InChIKeyDMGKLCOPTHVQCO-UHFFFAOYSA-N
MW961.10 g/mol
LogP17.23
Rot. Bonds8

About 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole

2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 147387769) has the molecular formula C67H40N6O2 and a molecular weight of 961.10 g/mol. Its IUPAC name is 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
PubChem CID147387769
Molecular FormulaC67H40N6O2
Molecular Weight961.10 g/mol
Exact Mass960.32
IUPAC Name2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3nc(-c4ccc5ccc(-c6nc7ccccc7o6)cc5c4)nc(-c4ccc5ccc(-c6nc7ccccc7o6)cc5c4)n3)c2)cc1
InChIInChI=1S/C67H40N6O2/c1-3-12-41(13-4-1)45-30-32-59-55(39-45)56-40-46(42-14-5-2-6-15-42)31-33-60(56)73(59)54-17-11-16-47(38-54)63-70-64(48-26-22-43-24-28-50(36-52(43)34-48)66-68-57-18-7-9-20-61(57)74-66)72-65(71-63)49-27-23-44-25-29-51(37-53(44)35-49)67-69-58-19-8-10-21-62(58)75-67/h1-40H
InChIKeyDMGKLCOPTHVQCO-UHFFFAOYSA-N
XLogP17.23
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.10
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole with MolForge

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Related Compounds

2-[6-(1,3-benzoxazol-2-yl)-9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 155366415
2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228196
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155444605
2-[6-(1,3-benzoxazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]-1,3-benzoxazole
CID 155366230
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 155444658
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[11-(3-phenylphenyl)benzo[a]carbazol-8-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(3-phenylphenyl)benzo[b]carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 159394481
2-[6-(1,3-benzoxazol-2-yl)-9-[3-(2,4,6-trimethylphenyl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366409
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;bis(2-[6-(1,3-benzoxazol-2-yl)-9-[3-naphthalen-2-yl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole);2-[6-(1,3-benzoxazol-2-yl)-9-[3-(4-phenylphenyl)-5-(4-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-(4-phenylphenyl)-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[3-phenyl-5-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole;2-[6-(1,3-benzoxazol-2-yl)-9-[4-(1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 160762846
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022

Frequently Asked Questions

What is the IUPAC name of 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole (CID 147387769) is 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3nc(-c4ccc5ccc(-c6nc7ccccc7o6)cc5c4)nc(-c4ccc5ccc(-c6nc7ccccc7o6)cc5c4)n3)c2)cc1.
What is the InChIKey of 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is DMGKLCOPTHVQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40N6O2/c1-3-12-41(13-4-1)45-30-32-59-55(39-45)56-40-46(42-14-5-2-6-15-42)31-33-60(56)73(59)54-17-11-16-47(38-54)63-70-64(48-26-22-43-24-28-50(36-52(43)34-48)66-68-57-18-7-9-20-61(57)74-66)72-65(71-63)49-27-23-44-25-29-51(37-53(44)35-49)67-69-58-19-8-10-21-62(58)75-67/h1-40H.
What are the key properties of 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole?
2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 961.10 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[4-[7-(1,3-benzoxazol-2-yl)naphthalen-2-yl]-6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 147387769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).