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

C50H31N5O — CID 146227093

IUPAC11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C50H31N5O/c1-3-15-32(16-4-1)49-50(55(52-51-49)34-17-5-2-6-18-34)33-27-28-43-38(29-33)35-19-7-10-22-41(35)53(43)44-24-12-13-25-45(44)54-42-23-11-8-20-36(42)39-31-48-40(30-46(39)54)37-21-9-14-26-47(37)56-48/h1-31H
InChIKeyQYDSYPUKTGWOSF-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

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

11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 146227093) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID146227093
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1
InChIInChI=1S/C50H31N5O/c1-3-15-32(16-4-1)49-50(55(52-51-49)34-17-5-2-6-18-34)33-27-28-43-38(29-33)35-19-7-10-22-41(35)53(43)44-24-12-13-25-45(44)54-42-23-11-8-20-36(42)39-31-48-40(30-46(39)54)37-21-9-14-26-47(37)56-48/h1-31H
InChIKeyQYDSYPUKTGWOSF-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-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146226641
12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 146227197
5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226751
5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226928
5-[2-[1-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226752
12-[2-[4-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 146226936
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
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408
26-phenyl-30-(3-phenylphenyl)-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(29),25,27-pentadecaene
CID 118361069
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109

Frequently Asked Questions

What is the IUPAC name of 11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole (CID 146227093) is 11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2nnn(-c3ccccc3)c2-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1.
What is the InChIKey of 11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is QYDSYPUKTGWOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-15-32(16-4-1)49-50(55(52-51-49)34-17-5-2-6-18-34)33-27-28-43-38(29-33)35-19-7-10-22-41(35)53(43)44-24-12-13-25-45(44)54-42-23-11-8-20-36(42)39-31-48-40(30-46(39)54)37-21-9-14-26-47(37)56-48/h1-31H.
What are the key properties of 11-[2-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[2-[3-(3,5-diphenyltriazol-4-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-[3-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 146227093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).