1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole

C68H40N6O2 — CID 153460067

IUPAC1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c45)cnc3-c3cccc4oc5cc6c7ccccc7n(-c7ccccc7)c6cc5c34)n2)cc1
InChIInChI=1S/C68H40N6O2/c1-5-19-41(20-6-1)66-70-67(42-21-7-2-8-22-42)72-68(71-66)54-35-43(46-29-17-33-59-63(46)52-36-57-50(38-61(52)75-59)47-27-13-15-31-55(47)73(57)44-23-9-3-10-24-44)40-69-65(54)49-30-18-34-60-64(49)53-37-58-51(39-62(53)76-60)48-28-14-16-32-56(48)74(58)45-25-11-4-12-26-45/h1-40H
InChIKeyPORLLMMJEQVSKE-UHFFFAOYSA-N
MW973.11 g/mol
LogP17.59
Rot. Bonds7

About 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 153460067) has the molecular formula C68H40N6O2 and a molecular weight of 973.11 g/mol. Its IUPAC name is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID153460067
Molecular FormulaC68H40N6O2
Molecular Weight973.11 g/mol
Exact Mass972.32
IUPAC Name1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c45)cnc3-c3cccc4oc5cc6c7ccccc7n(-c7ccccc7)c6cc5c34)n2)cc1
InChIInChI=1S/C68H40N6O2/c1-5-19-41(20-6-1)66-70-67(42-21-7-2-8-22-42)72-68(71-66)54-35-43(46-29-17-33-59-63(46)52-36-57-50(38-61(52)75-59)47-27-13-15-31-55(47)73(57)44-23-9-3-10-24-44)40-69-65(54)49-30-18-34-60-64(49)53-37-58-51(39-62(53)76-60)48-28-14-16-32-56(48)74(58)45-25-11-4-12-26-45/h1-40H
InChIKeyPORLLMMJEQVSKE-UHFFFAOYSA-N
XLogP17.59
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.11
LogP ≤ 517.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-4-yl)-2-pyridinyl]-14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 153460342
1-[5-[5-(2,6-diphenylphenyl)-2-pyridinyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 164951422
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 163718426
1-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;2-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole;3-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 161039820
1-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163456699
1-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;1-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163850805
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 153459819
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 118508108
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 118507827
4-[5-(2,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 147858176

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 153460067) is 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5oc6cc7c8ccccc8n(-c8ccccc8)c7cc6c45)cnc3-c3cccc4oc5cc6c7ccccc7n(-c7ccccc7)c6cc5c34)n2)cc1.
What is the InChIKey of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is PORLLMMJEQVSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N6O2/c1-5-19-41(20-6-1)66-70-67(42-21-7-2-8-22-42)72-68(71-66)54-35-43(46-29-17-33-59-63(46)52-36-57-50(38-61(52)75-59)47-27-13-15-31-55(47)73(57)44-23-9-3-10-24-44)40-69-65(54)49-30-18-34-60-64(49)53-37-58-51(39-62(53)76-60)48-28-14-16-32-56(48)74(58)45-25-11-4-12-26-45/h1-40H.
What are the key properties of 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 973.11 g/mol, XLogP of 17.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(11-phenyl-[1]benzofuro[3,2-b]carbazol-1-yl)-2-pyridinyl]-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 153460067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).