10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole

C60H36N2O — CID 163950755

IUPAC10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc3c3c4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c4ccc32)cc1
InChIInChI=1S/C60H36N2O/c1-2-12-41(13-3-1)61-56-33-32-51-50-31-28-42(62-54-20-10-8-18-48(54)49-19-9-11-21-55(49)62)36-58(50)63-60(51)59(56)52-30-27-40(35-57(52)61)38-24-22-37(23-25-38)39-26-29-47-45-16-5-4-14-43(45)44-15-6-7-17-46(44)53(47)34-39/h1-36H
InChIKeyRZBXNUXJOWMNMF-UHFFFAOYSA-N
MW800.96 g/mol
LogP16.57
Rot. Bonds4

About 10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole

10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole (PubChem CID 163950755) has the molecular formula C60H36N2O and a molecular weight of 800.96 g/mol. Its IUPAC name is 10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
PubChem CID163950755
Molecular FormulaC60H36N2O
Molecular Weight800.96 g/mol
Exact Mass800.28
IUPAC Name10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-n2c3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc3c3c4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c4ccc32)cc1
InChIInChI=1S/C60H36N2O/c1-2-12-41(13-3-1)61-56-33-32-51-50-31-28-42(62-54-20-10-8-18-48(54)49-19-9-11-21-55(49)62)36-58(50)63-60(51)59(56)52-30-27-40(35-57(52)61)38-24-22-37(23-25-38)39-26-29-47-45-16-5-4-14-43(45)44-15-6-7-17-46(44)53(47)34-39/h1-36H
InChIKeyRZBXNUXJOWMNMF-UHFFFAOYSA-N
XLogP16.57
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.96
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
2-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223669
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
5-[4-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 149479676
6-(4-dibenzofuran-2-ylphenyl)-24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604260
5-phenyl-3-(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(20),16,18-nonaen-18-yl)-[1]benzofuro[3,2-c]carbazole
CID 134223386
6-([1]benzofuro[3,2-c]carbazol-5-yl)-2-phenylxanthen-9-one
CID 146176135
2-[9-(3-dibenzofuran-4-yl-5-phenylphenyl)carbazol-4-yl]-9-phenyl-6-[7-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
CID 167269862
5-(7-dibenzofuran-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 170276888
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859

Frequently Asked Questions

What is the IUPAC name of 10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole (CID 163950755) is 10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole is c1ccc(-n2c3cc(-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)ccc3c3c4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c4ccc32)cc1.
What is the InChIKey of 10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole?
The InChIKey is RZBXNUXJOWMNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O/c1-2-12-41(13-3-1)61-56-33-32-51-50-31-28-42(62-54-20-10-8-18-48(54)49-19-9-11-21-55(49)62)36-58(50)63-60(51)59(56)52-30-27-40(35-57(52)61)38-24-22-37(23-25-38)39-26-29-47-45-16-5-4-14-43(45)44-15-6-7-17-46(44)53(47)34-39/h1-36H.
What are the key properties of 10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole?
10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole has a molecular weight of 800.96 g/mol, XLogP of 16.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-carbazol-9-yl-5-phenyl-3-(4-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163950755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).