5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole

C60H39N5O — CID 167043276

IUPAC5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
SMILESCN1C(c2ccc3ccccc3c2)=NC(c2cc(-n3c4ccccc4c4cc5ccccc5cc43)c3oc4ccccc4c3c2)=NC1c1cccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C60H39N5O/c1-63-59(41-31-30-37-16-5-6-17-38(37)32-41)61-58(62-60(63)47-25-15-28-52-56(47)46-24-10-13-27-51(46)64(52)43-20-3-2-4-21-43)42-34-49-45-23-11-14-29-55(45)66-57(49)54(36-42)65-50-26-12-9-22-44(50)48-33-39-18-7-8-19-40(39)35-53(48)65/h2-36,60H,1H3
InChIKeyKCVQRDOVEIPFIK-UHFFFAOYSA-N
MW846.01 g/mol
LogP14.92
Rot. Bonds5

About 5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole

5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole (PubChem CID 167043276) has the molecular formula C60H39N5O and a molecular weight of 846.01 g/mol. Its IUPAC name is 5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
PubChem CID167043276
Molecular FormulaC60H39N5O
Molecular Weight846.01 g/mol
Exact Mass845.32
IUPAC Name5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
SMILESCN1C(c2ccc3ccccc3c2)=NC(c2cc(-n3c4ccccc4c4cc5ccccc5cc43)c3oc4ccccc4c3c2)=NC1c1cccc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C60H39N5O/c1-63-59(41-31-30-37-16-5-6-17-38(37)32-41)61-58(62-60(63)47-25-15-28-52-56(47)46-24-10-13-27-51(46)64(52)43-20-3-2-4-21-43)42-34-49-45-23-11-14-29-55(45)66-57(49)54(36-42)65-50-26-12-9-22-44(50)48-33-39-18-7-8-19-40(39)35-53(48)65/h2-36,60H,1H3
InChIKeyKCVQRDOVEIPFIK-UHFFFAOYSA-N
XLogP14.92
TPSA50.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.01
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[6-naphthalen-2-yl-2-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699320
12-[2-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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 166699655
5-[2-[2-(9-phenylcarbazol-2-yl)-6-(3-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699531
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
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167348048
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 167347943
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]benzo[b]carbazole
CID 166495995
5-[10-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]benzo[b]carbazole
CID 166700023
3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole
CID 162489011
3-[9-(2-naphthalen-1-yldibenzofuran-4-yl)carbazol-2-yl]-9-phenylcarbazole
CID 167200561
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366
12-[4-[5-ethyl-6-naphthalen-2-yl-4-(9-phenylcarbazol-3-yl)-4,5-dihydropyrimidin-2-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 155042921

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole (CID 167043276) is 5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole is CN1C(c2ccc3ccccc3c2)=NC(c2cc(-n3c4ccccc4c4cc5ccccc5cc43)c3oc4ccccc4c3c2)=NC1c1cccc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole?
The InChIKey is KCVQRDOVEIPFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N5O/c1-63-59(41-31-30-37-16-5-6-17-38(37)32-41)61-58(62-60(63)47-25-15-28-52-56(47)46-24-10-13-27-51(46)64(52)43-20-3-2-4-21-43)42-34-49-45-23-11-14-29-55(45)66-57(49)54(36-42)65-50-26-12-9-22-44(50)48-33-39-18-7-8-19-40(39)35-53(48)65/h2-36,60H,1H3.
What are the key properties of 5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole?
5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole has a molecular weight of 846.01 g/mol, XLogP of 14.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole is sourced from PubChem (CID 167043276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).