8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole

C58H41NO2 — CID 163751212

IUPAC8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(CCC(c2ccccc2)c2ccc(C3(c4ccc5c(c4)c4cc6oc7ccccc7c6cc4n5-c4ccccc4)c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C58H41NO2/c1-4-16-39(17-5-1)28-34-45(40-18-6-2-7-19-40)41-29-31-42(32-30-41)58(50-23-11-14-26-55(50)61-56-27-15-12-24-51(56)58)43-33-35-52-47(36-43)48-38-57-49(46-22-10-13-25-54(46)60-57)37-53(48)59(52)44-20-8-3-9-21-44/h1-27,29-33,35-38,45H,28,34H2
InChIKeyLQCUHDJZMPWIJX-UHFFFAOYSA-N
MW783.97 g/mol
LogP14.94
Rot. Bonds8

About 8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole

8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole (PubChem CID 163751212) has the molecular formula C58H41NO2 and a molecular weight of 783.97 g/mol. Its IUPAC name is 8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
PubChem CID163751212
Molecular FormulaC58H41NO2
Molecular Weight783.97 g/mol
Exact Mass783.31
IUPAC Name8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(CCC(c2ccccc2)c2ccc(C3(c4ccc5c(c4)c4cc6oc7ccccc7c6cc4n5-c4ccccc4)c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C58H41NO2/c1-4-16-39(17-5-1)28-34-45(40-18-6-2-7-19-40)41-29-31-42(32-30-41)58(50-23-11-14-26-55(50)61-56-27-15-12-24-51(56)58)43-33-35-52-47(36-43)48-38-57-49(46-22-10-13-25-54(46)60-57)37-53(48)59(52)44-20-8-3-9-21-44/h1-27,29-33,35-38,45H,28,34H2
InChIKeyLQCUHDJZMPWIJX-UHFFFAOYSA-N
XLogP14.94
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.97
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-(9-phenylxanthen-9-yl)carbazole
CID 134164714
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
15-phenyl-19-[4-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546078
5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole
CID 140899019
15-phenyl-19-[3-(9-phenylfluoren-9-yl)phenyl]-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118546032
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842638
N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]dibenzofuran-2-amine
CID 167214769
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine
CID 90050696
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167334161
N-dibenzofuran-3-yl-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264393
9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole
CID 166877562
10'-phenylspiro[10,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 134351783

Frequently Asked Questions

What is the IUPAC name of 8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole (CID 163751212) is 8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole is c1ccc(CCC(c2ccccc2)c2ccc(C3(c4ccc5c(c4)c4cc6oc7ccccc7c6cc4n5-c4ccccc4)c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of 8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
The InChIKey is LQCUHDJZMPWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO2/c1-4-16-39(17-5-1)28-34-45(40-18-6-2-7-19-40)41-29-31-42(32-30-41)58(50-23-11-14-26-55(50)61-56-27-15-12-24-51(56)58)43-33-35-52-47(36-43)48-38-57-49(46-22-10-13-25-54(46)60-57)37-53(48)59(52)44-20-8-3-9-21-44/h1-27,29-33,35-38,45H,28,34H2.
What are the key properties of 8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole?
8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole has a molecular weight of 783.97 g/mol, XLogP of 14.94, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 163751212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).