11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

C50H31N5O — CID 146226641

IUPAC11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nnn(-c3ccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4c3)c2-c2ccccc2)cc1
InChIInChI=1S/C50H31N5O/c1-3-15-32(16-4-1)49-50(33-17-5-2-6-18-33)55(52-51-49)34-27-28-37-35-19-7-10-22-41(35)53(45(37)29-34)43-24-12-13-25-44(43)54-42-23-11-8-20-36(42)39-31-48-40(30-46(39)54)38-21-9-14-26-47(38)56-48/h1-31H
InChIKeyUMPGCZLELHHMNJ-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

About 11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole

11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 146226641) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID146226641
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nnn(-c3ccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4c3)c2-c2ccccc2)cc1
InChIInChI=1S/C50H31N5O/c1-3-15-32(16-4-1)49-50(33-17-5-2-6-18-33)55(52-51-49)34-27-28-37-35-19-7-10-22-41(35)53(45(37)29-34)43-24-12-13-25-44(43)54-42-23-11-8-20-36(42)39-31-48-40(30-46(39)54)38-21-9-14-26-47(38)56-48/h1-31H
InChIKeyUMPGCZLELHHMNJ-UHFFFAOYSA-N
XLogP12.69
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146227093
5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226751
12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 146227197
12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146226936
5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226752
30-(9-phenylcarbazol-2-yl)-5-oxa-30-azaoctacyclo[19.11.0.02,14.04,12.06,11.015,20.023,31.024,29]dotriaconta-1(32),2,4(12),6,8,10,13,15,17,19,21,23(31),24,26,28-pentadecaene
CID 118361078
15-phenyl-11-(4-phenylquinazolin-2-yl)-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 129141891
11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126580313
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
11-[3-[2-(3,5-diphenyl-1,2,4-triazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146226861
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226928

Frequently Asked Questions

What is the IUPAC name of 11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (CID 146226641) is 11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nnn(-c3ccc4c5ccccc5n(-c5ccccc5-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4c3)c2-c2ccccc2)cc1.
What is the InChIKey of 11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is UMPGCZLELHHMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-15-32(16-4-1)49-50(33-17-5-2-6-18-33)55(52-51-49)34-27-28-37-35-19-7-10-22-41(35)53(45(37)29-34)43-24-12-13-25-44(43)54-42-23-11-8-20-36(42)39-31-48-40(30-46(39)54)38-21-9-14-26-47(38)56-48/h1-31H.
What are the key properties of 11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 717.83 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 146226641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).