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

C66H41N3O2 — CID 118448517

IUPAC5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole
SMILESC1=C(c2cc(-c3ccc4c(c3)c3c5oc6ccccc6c5ccc3n4-c3ccccc3)c3c(c2)c2ccccc2n3-c2ccccc2)CCc2c1c1c3oc4ccccc4c3ccc1n2-c1ccccc1
InChIInChI=1S/C66H41N3O2/c1-4-16-43(17-5-1)67-56-32-28-40(36-53(56)62-58(67)34-30-49-47-23-11-14-26-60(47)70-65(49)62)42-38-51(64-52(39-42)46-22-10-13-25-55(46)69(64)45-20-8-3-9-21-45)41-29-33-57-54(37-41)63-59(68(57)44-18-6-2-7-19-44)35-31-50-48-24-12-15-27-61(48)71-66(50)63/h1-27,29-31,33-39H,28,32H2
InChIKeyADPCUIFTRUBCOY-UHFFFAOYSA-N
MW908.07 g/mol
LogP17.78
Rot. Bonds5

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

5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 118448517) has the molecular formula C66H41N3O2 and a molecular weight of 908.07 g/mol. Its IUPAC name is 5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID118448517
Molecular FormulaC66H41N3O2
Molecular Weight908.07 g/mol
Exact Mass907.32
IUPAC Name5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole
SMILESC1=C(c2cc(-c3ccc4c(c3)c3c5oc6ccccc6c5ccc3n4-c3ccccc3)c3c(c2)c2ccccc2n3-c2ccccc2)CCc2c1c1c3oc4ccccc4c3ccc1n2-c1ccccc1
InChIInChI=1S/C66H41N3O2/c1-4-16-43(17-5-1)67-56-32-28-40(36-53(56)62-58(67)34-30-49-47-23-11-14-26-60(47)70-65(49)62)42-38-51(64-52(39-42)46-22-10-13-25-55(46)69(64)45-20-8-3-9-21-45)41-29-33-57-54(37-41)63-59(68(57)44-18-6-2-7-19-44)35-31-50-48-24-12-15-27-61(48)71-66(50)63/h1-27,29-31,33-39H,28,32H2
InChIKeyADPCUIFTRUBCOY-UHFFFAOYSA-N
XLogP17.78
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.07
LogP ≤ 517.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole with MolForge

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Related Compounds

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
5-phenyl-2-(5-phenyl-[1]benzofuro[2,3-g]carbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 140840864
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859
15,19-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 126679130
6-dibenzofuran-4-yl-1,3,9-triphenylcarbazole
CID 123910870
3-(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)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223675
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656557
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole (CID 118448517) is 5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole is C1=C(c2cc(-c3ccc4c(c3)c3c5oc6ccccc6c5ccc3n4-c3ccccc3)c3c(c2)c2ccccc2n3-c2ccccc2)CCc2c1c1c3oc4ccccc4c3ccc1n2-c1ccccc1.
What is the InChIKey of 5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is ADPCUIFTRUBCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N3O2/c1-4-16-43(17-5-1)67-56-32-28-40(36-53(56)62-58(67)34-30-49-47-23-11-14-26-60(47)70-65(49)62)42-38-51(64-52(39-42)46-22-10-13-25-55(46)69(64)45-20-8-3-9-21-45)41-29-33-57-54(37-41)63-59(68(57)44-18-6-2-7-19-44)35-31-50-48-24-12-15-27-61(48)71-66(50)63/h1-27,29-31,33-39H,28,32H2.
What are the key properties of 5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole?
5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 908.07 g/mol, XLogP of 17.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[9-phenyl-3-(5-phenyl-3,4-dihydro-[1]benzofuro[3,2-c]carbazol-2-yl)carbazol-1-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 118448517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).