7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole

C56H38N2O — CID 90215625

IUPAC7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2ccc(C3c4ccccc4N(c4ccc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)cc4)C3c3ccccc3)cc2)cc1
InChIInChI=1S/C56H38N2O/c1-3-13-37(14-4-1)38-23-25-41(26-24-38)55-47-19-8-11-21-51(47)58(56(55)42-15-5-2-6-16-42)44-33-29-40(30-34-44)39-27-31-43(32-28-39)57-50-20-10-7-17-45(50)48-35-49-46-18-9-12-22-53(46)59-54(49)36-52(48)57/h1-36,55-56H
InChIKeyVWHBDQWTANRZSZ-UHFFFAOYSA-N
MW754.93 g/mol
LogP15.04
Rot. Bonds6

About 7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole

7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 90215625) has the molecular formula C56H38N2O and a molecular weight of 754.93 g/mol. Its IUPAC name is 7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID90215625
Molecular FormulaC56H38N2O
Molecular Weight754.93 g/mol
Exact Mass754.30
IUPAC Name7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2ccc(C3c4ccccc4N(c4ccc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)cc4)C3c3ccccc3)cc2)cc1
InChIInChI=1S/C56H38N2O/c1-3-13-37(14-4-1)38-23-25-41(26-24-38)55-47-19-8-11-21-51(47)58(56(55)42-15-5-2-6-16-42)44-33-29-40(30-34-44)39-27-31-43(32-28-39)57-50-20-10-7-17-45(50)48-35-49-46-18-9-12-22-53(46)59-54(49)36-52(48)57/h1-36,55-56H
InChIKeyVWHBDQWTANRZSZ-UHFFFAOYSA-N
XLogP15.04
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.93
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole
CID 163767241
11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 167193420
N-[4-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-4-phenylaniline
CID 118405567
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]carbazole;7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 160917779
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 134223336
10-dibenzofuran-3-yl-23-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324824
5-dibenzofuran-3-yl-7-[4-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847658
3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163958673
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 145077596

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole (CID 90215625) is 7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2ccc(C3c4ccccc4N(c4ccc(-c5ccc(-n6c7ccccc7c7cc8c(cc76)oc6ccccc68)cc5)cc4)C3c3ccccc3)cc2)cc1.
What is the InChIKey of 7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is VWHBDQWTANRZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2O/c1-3-13-37(14-4-1)38-23-25-41(26-24-38)55-47-19-8-11-21-51(47)58(56(55)42-15-5-2-6-16-42)44-33-29-40(30-34-44)39-27-31-43(32-28-39)57-50-20-10-7-17-45(50)48-35-49-46-18-9-12-22-53(46)59-54(49)36-52(48)57/h1-36,55-56H.
What are the key properties of 7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 754.93 g/mol, XLogP of 15.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 90215625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).