5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole

C66H41N5O2 — CID 167043609

IUPAC5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
SMILESCC12C=CC=CC1N(c1ccccc1)c1cc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4cc6ccccc6cc45)n3)ccc12
InChIInChI=1S/C66H41N5O2/c1-66-30-14-13-25-61(66)71(45-19-3-2-4-20-45)57-35-44(26-28-54(57)66)64-67-63(43-27-29-59-50(33-43)48-22-10-12-24-58(48)72-59)68-65(69-64)53-38-46(37-52-51-32-40-16-6-8-18-42(40)36-60(51)73-62(52)53)70-55-23-11-9-21-47(55)49-31-39-15-5-7-17-41(39)34-56(49)70/h2-38,61H,1H3
InChIKeyWPFRROTZOAEDHC-UHFFFAOYSA-N
MW936.09 g/mol
LogP16.98
Rot. Bonds5

About 5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole

5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole (PubChem CID 167043609) has the molecular formula C66H41N5O2 and a molecular weight of 936.09 g/mol. Its IUPAC name is 5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
PubChem CID167043609
Molecular FormulaC66H41N5O2
Molecular Weight936.09 g/mol
Exact Mass935.33
IUPAC Name5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
SMILESCC12C=CC=CC1N(c1ccccc1)c1cc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4cc6ccccc6cc45)n3)ccc12
InChIInChI=1S/C66H41N5O2/c1-66-30-14-13-25-61(66)71(45-19-3-2-4-20-45)57-35-44(26-28-54(57)66)64-67-63(43-27-29-59-50(33-43)48-22-10-12-24-58(48)72-59)68-65(69-64)53-38-46(37-52-51-32-40-16-6-8-18-42(40)36-60(51)73-62(52)53)70-55-23-11-9-21-47(55)49-31-39-15-5-7-17-41(39)34-56(49)70/h2-38,61H,1H3
InChIKeyWPFRROTZOAEDHC-UHFFFAOYSA-N
XLogP16.98
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.09
LogP ≤ 516.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole with MolForge

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Related Compounds

12-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-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 167347572
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166699412
5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 155043554
5-[4-[4,6-di(phenanthren-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700520
5-[4-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698963
5-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 163705036
5-[3-[4-dibenzofuran-2-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347889
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166698980
5-[4-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347449
5-[4-[4,6-di(dibenzothiophen-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347924
5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole
CID 155430650
12-[6-(4-carbazol-9-yl-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-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 163846224

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole (CID 167043609) is 5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole is CC12C=CC=CC1N(c1ccccc1)c1cc(-c3nc(-c4ccc5oc6ccccc6c5c4)nc(-c4cc(-n5c6ccccc6c6cc7ccccc7cc65)cc5c4oc4cc6ccccc6cc45)n3)ccc12.
What is the InChIKey of 5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
The InChIKey is WPFRROTZOAEDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N5O2/c1-66-30-14-13-25-61(66)71(45-19-3-2-4-20-45)57-35-44(26-28-54(57)66)64-67-63(43-27-29-59-50(33-43)48-22-10-12-24-58(48)72-59)68-65(69-64)53-38-46(37-52-51-32-40-16-6-8-18-42(40)36-60(51)73-62(52)53)70-55-23-11-9-21-47(55)49-31-39-15-5-7-17-41(39)34-56(49)70/h2-38,61H,1H3.
What are the key properties of 5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole?
5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole has a molecular weight of 936.09 g/mol, XLogP of 16.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4b-methyl-9-phenyl-8aH-carbazol-2-yl)-6-dibenzofuran-2-yl-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole is sourced from PubChem (CID 167043609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).