5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

C79H69N5O2 — CID 155636680

IUPAC5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C79H69N5O2/c1-76(2,3)49-39-47(40-50(44-49)77(4,5)6)74-80-73(81-75(82-74)48-41-51(78(7,8)9)45-52(42-48)79(10,11)12)46-33-36-64(84-63-30-20-15-27-59(63)70-66(84)38-35-57-55-25-17-22-32-68(55)86-72(57)70)60(43-46)53-23-13-18-28-61(53)83-62-29-19-14-26-58(62)69-65(83)37-34-56-54-24-16-21-31-67(54)85-71(56)69/h13-45H,1-12H3
InChIKeyBCPOIJCUPQAUBD-UHFFFAOYSA-N
MW1120.45 g/mol
LogP21.72
Rot. Bonds6

About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 155636680) has the molecular formula C79H69N5O2 and a molecular weight of 1120.45 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID155636680
Molecular FormulaC79H69N5O2
Molecular Weight1120.45 g/mol
Exact Mass1119.55
IUPAC Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESCC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2)cc(C(C)(C)C)c1
InChIInChI=1S/C79H69N5O2/c1-76(2,3)49-39-47(40-50(44-49)77(4,5)6)74-80-73(81-75(82-74)48-41-51(78(7,8)9)45-52(42-48)79(10,11)12)46-33-36-64(84-63-30-20-15-27-59(63)70-66(84)38-35-57-55-25-17-22-32-68(55)86-72(57)70)60(43-46)53-23-13-18-28-61(53)83-62-29-19-14-26-58(62)69-65(83)37-34-56-54-24-16-21-31-67(54)85-71(56)69/h13-45H,1-12H3
InChIKeyBCPOIJCUPQAUBD-UHFFFAOYSA-N
XLogP21.72
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001120.45
LogP ≤ 521.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

5-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155636719
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-(4-isocyanophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 153432339
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155463130
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554643
5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-[4,6-bis(3,5-ditert-butylphenyl)pyrimidin-2-yl]-2,6-bis(2-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 162231255
9-[2-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]phenyl]-3,6-ditert-butylcarbazole
CID 155636636
2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 153432271
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
5-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164932797
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]-[1]benzofuro[3,2-c]carbazole
CID 154603075
4-([1]benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003348
2-phenyl-5-[2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 164965431

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 155636680) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is CC(C)(C)c1cc(-c2nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nc(-c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c(-c4ccccc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)n2)cc(C(C)(C)C)c1.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is BCPOIJCUPQAUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H69N5O2/c1-76(2,3)49-39-47(40-50(44-49)77(4,5)6)74-80-73(81-75(82-74)48-41-51(78(7,8)9)45-52(42-48)79(10,11)12)46-33-36-64(84-63-30-20-15-27-59(63)70-66(84)38-35-57-55-25-17-22-32-68(55)86-72(57)70)60(43-46)53-23-13-18-28-61(53)83-62-29-19-14-26-58(62)69-65(83)37-34-56-54-24-16-21-31-67(54)85-71(56)69/h13-45H,1-12H3.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 1120.45 g/mol, XLogP of 21.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 155636680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).