4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol

C25H17NO2 — CID 155680737

IUPAC4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol
SMILESCn1c2ccccc2c2cc3c(oc4ccccc43)c(-c3ccc(O)cc3)c21
InChIInChI=1S/C25H17NO2/c1-26-21-8-4-2-6-17(21)19-14-20-18-7-3-5-9-22(18)28-25(20)23(24(19)26)15-10-12-16(27)13-11-15/h2-14,27H,1H3
InChIKeyVZGONQGKIUDGAS-UHFFFAOYSA-N
MW363.42 g/mol
LogP6.60
Rot. Bonds1

About 4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol

4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol (PubChem CID 155680737) has the molecular formula C25H17NO2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol.

Molecular Properties

Compound Name4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol
PubChem CID155680737
Molecular FormulaC25H17NO2
Molecular Weight363.42 g/mol
Exact Mass363.13
IUPAC Name4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol
SMILESCn1c2ccccc2c2cc3c(oc4ccccc43)c(-c3ccc(O)cc3)c21
InChIInChI=1S/C25H17NO2/c1-26-21-8-4-2-6-17(21)19-14-20-18-7-3-5-9-22(18)28-25(20)23(24(19)26)15-10-12-16(27)13-11-15/h2-14,27H,1H3
InChIKeyVZGONQGKIUDGAS-UHFFFAOYSA-N
XLogP6.60
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-adamantyl)-7-methyl-[1]benzofuro[2,3-b]carbazole
CID 169027749
11-methyl-6-phenyl-[1]benzofuro[3,2-b]carbazole
CID 169027972
17-oxa-8-azaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(26),2(7),3,5,9,11,13,15,18,20,22,24-dodecaen-5-ol
CID 148945291
4,23-dioxa-1,20-diazaundecacyclo[19.17.1.12,13.03,11.05,10.014,19.022,30.024,29.032,39.033,38.020,40]tetraconta-2(40),3(11),5,7,9,12,14,16,18,21(39),22(30),24,26,28,31,33,35,37-octadecaene
CID 171595148
4-(1,2-dimethylindol-3-yl)phenol
CID 82039937
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
16,20-dimethyl-14-phenyl-12-oxa-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 155680755
12-methyl-6-propan-2-yl-[1]benzofuro[3,2-a]carbazole
CID 169027952
3,25-diphenyl-14,36-dioxa-5,27-diazatridecacyclo[25.17.1.15,12.02,26.04,24.06,11.013,21.015,20.028,33.034,45.035,43.037,42.023,46]hexatetraconta-1(45),2,4(24),6,8,10,12,15,17,19,21,23(46),25,28,30,32,34,37,39,41,43-henicosaene
CID 146512323
6-methyl-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 123156036
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 88568798
4-[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]phenol
CID 139612412

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol?
The IUPAC name of 4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol (CID 155680737) is 4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol.
What is the SMILES notation for 4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol?
The canonical SMILES for 4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol is Cn1c2ccccc2c2cc3c(oc4ccccc43)c(-c3ccc(O)cc3)c21.
What is the InChIKey of 4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol?
The InChIKey is VZGONQGKIUDGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO2/c1-26-21-8-4-2-6-17(21)19-14-20-18-7-3-5-9-22(18)28-25(20)23(24(19)26)15-10-12-16(27)13-11-15/h2-14,27H,1H3.
What are the key properties of 4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol?
4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol has a molecular weight of 363.42 g/mol, XLogP of 6.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-[1]benzofuro[2,3-b]carbazol-6-yl)phenol is sourced from PubChem (CID 155680737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).