3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

C54H33N3O — CID 134223766

IUPAC3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc(-c6ccc7c(c6)c6ccc8c9ccccc9oc8c6n7-c6ccccc6)cc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)45-32-46-40-26-24-35(31-49(40)56(51(46)33-50(45)55)37-16-6-2-7-17-37)34-25-29-48-44(30-34)42-27-28-43-41-21-11-13-23-52(41)58-54(43)53(42)57(48)38-18-8-3-9-19-38/h1-33H
InChIKeyLUFBIOIORIWXGQ-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.54
Rot. Bonds4

About 3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole

3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 134223766) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID134223766
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc(-c6ccc7c(c6)c6ccc8c9ccccc9oc8c6n7-c6ccccc6)cc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)45-32-46-40-26-24-35(31-49(40)56(51(46)33-50(45)55)37-16-6-2-7-17-37)34-25-29-48-44(30-34)42-27-28-43-41-21-11-13-23-52(41)58-54(43)53(42)57(48)38-18-8-3-9-19-38/h1-33H
InChIKeyLUFBIOIORIWXGQ-UHFFFAOYSA-N
XLogP14.54
TPSA27.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
12-phenyl-3-(7-phenyl-[1]benzothiolo[2,3-b]carbazol-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223760
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
12-phenyl-2-(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[2,3-a]carbazole
CID 134223483
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
15-phenyl-11-[4-(6-phenyl-2-pyridinyl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
CID 129141926
7-[4-[4-[2-[4-[3-[9-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-7-phenylcarbazol-2-yl]phenyl]phenyl]-7-phenylcarbazol-9-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 167192720
12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 166832183
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828306
11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole;2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;12-(3-phenylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 161096514
12-[4-(4-carbazol-9-ylphenyl)phenyl]-2-[4-[11-[4-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]carbazol-2-yl]phenyl]-9-phenyl-[1]benzofuro[2,3-a]carbazole
CID 167193369
11,15-diphenyl-8-(6-phenyl-2-pyridinyl)-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5(10),6,8,12,17(25),19,21,23,26-dodecaene
CID 129141922

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 134223766) is 3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-n2c3ccccc3c3cc4c5ccc(-c6ccc7c(c6)c6ccc8c9ccccc9oc8c6n7-c6ccccc6)cc5n(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of 3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is LUFBIOIORIWXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-4-14-36(15-5-1)55-47-22-12-10-20-39(47)45-32-46-40-26-24-35(31-49(40)56(51(46)33-50(45)55)37-16-6-2-7-17-37)34-25-29-48-44(30-34)42-27-28-43-41-21-11-13-23-52(41)58-54(43)53(42)57(48)38-18-8-3-9-19-38/h1-33H.
What are the key properties of 3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole?
3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 739.88 g/mol, XLogP of 14.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-diphenylindolo[2,3-b]carbazol-3-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 134223766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).