5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole

C80H48N6O2 — CID 146407363

IUPAC5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc(-c7cc(-c8ccc(-n9c%10ccccc%10c%10ccc%11c%12ccccc%12oc%11c%109)cc8)nc(-c8ccccc8)n7)cc6)cc6c7ccccc7oc6c54)cc3)n2)cc1
InChIInChI=1S/C80H48N6O2/c1-4-18-50(19-5-1)66-47-67(51-20-6-2-7-21-51)82-80(81-66)55-38-42-57(43-39-55)86-71-29-15-11-27-63(71)74-64(46-65-60-26-13-17-31-73(60)88-78(65)76(74)86)49-32-34-52(35-33-49)68-48-69(84-79(83-68)54-22-8-3-9-23-54)53-36-40-56(41-37-53)85-70-28-14-10-24-58(70)61-44-45-62-59-25-12-16-30-72(59)87-77(62)75(61)85/h1-48H
InChIKeyCHOZRTQHHNYBCR-UHFFFAOYSA-N
MW1125.30 g/mol
LogP20.93
Rot. Bonds9

About 5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole

5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 146407363) has the molecular formula C80H48N6O2 and a molecular weight of 1125.30 g/mol. Its IUPAC name is 5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID146407363
Molecular FormulaC80H48N6O2
Molecular Weight1125.30 g/mol
Exact Mass1124.38
IUPAC Name5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc(-c7cc(-c8ccc(-n9c%10ccccc%10c%10ccc%11c%12ccccc%12oc%11c%109)cc8)nc(-c8ccccc8)n7)cc6)cc6c7ccccc7oc6c54)cc3)n2)cc1
InChIInChI=1S/C80H48N6O2/c1-4-18-50(19-5-1)66-47-67(51-20-6-2-7-21-51)82-80(81-66)55-38-42-57(43-39-55)86-71-29-15-11-27-63(71)74-64(46-65-60-26-13-17-31-73(60)88-78(65)76(74)86)49-32-34-52(35-33-49)68-48-69(84-79(83-68)54-22-8-3-9-23-54)53-36-40-56(41-37-53)85-70-28-14-10-24-58(70)61-44-45-62-59-25-12-16-30-72(59)87-77(62)75(61)85/h1-48H
InChIKeyCHOZRTQHHNYBCR-UHFFFAOYSA-N
XLogP20.93
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001125.30
LogP ≤ 520.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole with MolForge

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Related Compounds

5-[4-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146407362
12-[4-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 129254550
12-dibenzofuran-4-yl-11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,3-a]carbazole
CID 121385253
12-[4-(2-chloro-6-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 150624614
4-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzonitrile
CID 126627638
18-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635349
12-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126580353
12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-a]carbazole
CID 90085604
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-18-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene
CID 140957382
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
11-(4-dibenzofuran-4-ylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 118595440
12-[3-[2,6-bis[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 126630911

Frequently Asked Questions

What is the IUPAC name of 5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole (CID 146407363) is 5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc(-c7cc(-c8ccc(-n9c%10ccccc%10c%10ccc%11c%12ccccc%12oc%11c%109)cc8)nc(-c8ccccc8)n7)cc6)cc6c7ccccc7oc6c54)cc3)n2)cc1.
What is the InChIKey of 5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is CHOZRTQHHNYBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H48N6O2/c1-4-18-50(19-5-1)66-47-67(51-20-6-2-7-21-51)82-80(81-66)55-38-42-57(43-39-55)86-71-29-15-11-27-63(71)74-64(46-65-60-26-13-17-31-73(60)88-78(65)76(74)86)49-32-34-52(35-33-49)68-48-69(84-79(83-68)54-22-8-3-9-23-54)53-36-40-56(41-37-53)85-70-28-14-10-24-58(70)61-44-45-62-59-25-12-16-30-72(59)87-77(62)75(61)85/h1-48H.
What are the key properties of 5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole?
5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1125.30 g/mol, XLogP of 20.93, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[6-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 146407363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).