7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole

C60H38N2O2 — CID 163767241

IUPAC7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole
SMILESC1=c2oc3ccccc3c2=CC2c3ccccc3N(c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)c4)c3)C12
InChIInChI=1S/C60H38N2O2/c1-3-15-37(16-4-1)39-27-41(31-43(29-39)61-53-23-11-7-19-45(53)49-33-51-47-21-9-13-25-57(47)63-59(51)35-55(49)61)42-28-40(38-17-5-2-6-18-38)30-44(32-42)62-54-24-12-8-20-46(54)50-34-52-48-22-10-14-26-58(48)64-60(52)36-56(50)62/h1-36,49,55H
InChIKeyMDJMMQGCEWJDNF-UHFFFAOYSA-N
MW818.98 g/mol
LogP14.31
Rot. Bonds5

About 7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole

7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 163767241) has the molecular formula C60H38N2O2 and a molecular weight of 818.98 g/mol. Its IUPAC name is 7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID163767241
Molecular FormulaC60H38N2O2
Molecular Weight818.98 g/mol
Exact Mass818.29
IUPAC Name7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole
SMILESC1=c2oc3ccccc3c2=CC2c3ccccc3N(c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)c4)c3)C12
InChIInChI=1S/C60H38N2O2/c1-3-15-37(16-4-1)39-27-41(31-43(29-39)61-53-23-11-7-19-45(53)49-33-51-47-21-9-13-25-57(47)63-59(51)35-55(49)61)42-28-40(38-17-5-2-6-18-38)30-44(32-42)62-54-24-12-8-20-46(54)50-34-52-48-22-10-14-26-58(48)64-60(52)36-56(50)62/h1-36,49,55H
InChIKeyMDJMMQGCEWJDNF-UHFFFAOYSA-N
XLogP14.31
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.98
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole with MolForge

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Related Compounds

30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene
CID 118614794
11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 167193420
7-[4-[4-[2-phenyl-3-(4-phenylphenyl)-2,3-dihydroindol-1-yl]phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 90215625
5-dibenzofuran-3-yl-7-[3-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 171414735
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
22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene
CID 122465786
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
5-dibenzofuran-3-yl-7-[4-(3-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 164847658
9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-2-(3,5-diphenylphenyl)carbazole
CID 146647922
9-[3-carbazol-9-yl-5-(4-dibenzofuran-3-ylphenyl)phenyl]carbazole;9-[4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 163688539

Frequently Asked Questions

What is the IUPAC name of 7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 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) is 7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole is C1=c2oc3ccccc3c2=CC2c3ccccc3N(c3cc(-c4ccccc4)cc(-c4cc(-c5ccccc5)cc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)c4)c3)C12.
What is the InChIKey of 7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is MDJMMQGCEWJDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O2/c1-3-15-37(16-4-1)39-27-41(31-43(29-39)61-53-23-11-7-19-45(53)49-33-51-47-21-9-13-25-57(47)63-59(51)35-55(49)61)42-28-40(38-17-5-2-6-18-38)30-44(32-42)62-54-24-12-8-20-46(54)50-34-52-48-22-10-14-26-58(48)64-60(52)36-56(50)62/h1-36,49,55H.
What are the key properties of 7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole?
7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 818.98 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[3-(6a,11b-dihydro-[1]benzofuro[2,3-b]carbazol-7-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 163767241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).