12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole

C50H31N5O — CID 146227197

IUPAC12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2ccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3c2)cc1
InChIInChI=1S/C50H31N5O/c1-3-15-32(16-4-1)48-49(55(52-51-48)34-17-5-2-6-18-34)33-27-28-37-35-19-7-10-22-40(35)53(44(37)31-33)42-24-12-13-25-43(42)54-41-23-11-8-20-36(41)38-29-30-46-47(50(38)54)39-21-9-14-26-45(39)56-46/h1-31H
InChIKeyPAFRJABMNIYKGR-UHFFFAOYSA-N
MW717.83 g/mol
LogP12.69
Rot. Bonds5

About 12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole

12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 146227197) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID146227197
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc(-c2nnn(-c3ccccc3)c2-c2ccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3c2)cc1
InChIInChI=1S/C50H31N5O/c1-3-15-32(16-4-1)48-49(55(52-51-48)34-17-5-2-6-18-34)33-27-28-37-35-19-7-10-22-40(35)53(44(37)31-33)42-24-12-13-25-43(42)54-41-23-11-8-20-36(41)38-29-30-46-47(50(38)54)39-21-9-14-26-45(39)56-46/h1-31H
InChIKeyPAFRJABMNIYKGR-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
11-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 146226641
5-[3-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226928
5-[2-[2-(4,5-diphenyltriazol-1-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146226751
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
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211
12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126679655
12-[4-(3,5-diphenyltriazol-4-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 90193717
12-[3-[4-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 153445986
12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126680132
12-[3-(2-phenylbenzimidazol-1-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 90324714

Frequently Asked Questions

What is the IUPAC name of 12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole (CID 146227197) is 12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole is c1ccc(-c2nnn(-c3ccccc3)c2-c2ccc3c4ccccc4n(-c4ccccc4-n4c5ccccc5c5ccc6oc7ccccc7c6c54)c3c2)cc1.
What is the InChIKey of 12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is PAFRJABMNIYKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c1-3-15-32(16-4-1)48-49(55(52-51-48)34-17-5-2-6-18-34)33-27-28-37-35-19-7-10-22-40(35)53(44(37)31-33)42-24-12-13-25-43(42)54-41-23-11-8-20-36(41)38-29-30-46-47(50(38)54)39-21-9-14-26-45(39)56-46/h1-31H.
What are the key properties of 12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]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 12-[2-[2-(3,5-diphenyltriazol-4-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 146227197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).