9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol

C46H27NO9 — CID 163468306

IUPAC9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3ccc4c(c3)oc3ccc5ccccc5c34)c3c(O)c(O)c(O)c(O)c3c(-c3ccc4c(c3)[nH]c3ccc5ccccc5c34)c2c1O
InChIInChI=1S/C46H27NO9/c48-39-35-31(21-9-13-25-28(17-21)47-27-15-11-19-5-1-3-7-23(19)33(25)27)36-38(42(51)46(55)44(53)40(36)49)32(37(35)41(50)45(54)43(39)52)22-10-14-26-30(18-22)56-29-16-12-20-6-2-4-8-24(20)34(26)29/h1-18,47-55H
InChIKeyBULYOBCSTGGTHI-UHFFFAOYSA-N
MW737.72 g/mol
LogP10.81
Rot. Bonds2

About 9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol

9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol (PubChem CID 163468306) has the molecular formula C46H27NO9 and a molecular weight of 737.72 g/mol. Its IUPAC name is 9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol.

Molecular Properties

Compound Name9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol
PubChem CID163468306
Molecular FormulaC46H27NO9
Molecular Weight737.72 g/mol
Exact Mass737.17
IUPAC Name9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol
SMILESOc1c(O)c(O)c2c(-c3ccc4c(c3)oc3ccc5ccccc5c34)c3c(O)c(O)c(O)c(O)c3c(-c3ccc4c(c3)[nH]c3ccc5ccccc5c34)c2c1O
InChIInChI=1S/C46H27NO9/c48-39-35-31(21-9-13-25-28(17-21)47-27-15-11-19-5-1-3-7-23(19)33(25)27)36-38(42(51)46(55)44(53)40(36)49)32(37(35)41(50)45(54)43(39)52)22-10-14-26-30(18-22)56-29-16-12-20-6-2-4-8-24(20)34(26)29/h1-18,47-55H
InChIKeyBULYOBCSTGGTHI-UHFFFAOYSA-N
XLogP10.81
TPSA190.77 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500737.72
LogP ≤ 510.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-2-yl-10-(7-naphtho[2,1-b][1]benzofuran-9-ylnaphthalen-2-yl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163785389
9-naphtho[2,1-b][1]benzofuran-10-yl-10-(4-phenanthren-2-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163441692
9-naphtho[2,1-b][1]benzofuran-10-yl-10-[2,3,5,6-tetrahydroxy-4-(2,3,4,5-tetrahydroxy-6-triphenylen-2-ylphenyl)phenyl]anthracene-1,2,3,4,5,6,7,8-octol
CID 174275556
7-[4-(10-naphtho[2,1-b][1]benzofuran-9-ylanthracen-9-yl)phenyl]-7-azoniabicyclo[4.1.0]hepta-1,3,5-triene
CID 145412862
9-naphthalen-1-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 160732184
9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415553
9-(10-benzo[a]anthracen-4-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 135252309
9-[10-(2,3,5,6-tetradeuterio-4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 170653690
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487809
9-(3-ethylphenyl)naphtho[2,1-b][1]benzofuran
CID 123472121
9-phenanthren-3-yl-10-phenylanthracene-1,2,3,4,5,6,7,8-octol
CID 163801714
3-dibenzofuran-3-yl-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 163834799

Frequently Asked Questions

What is the IUPAC name of 9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol?
The IUPAC name of 9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol (CID 163468306) is 9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol.
What is the SMILES notation for 9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol?
The canonical SMILES for 9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol is Oc1c(O)c(O)c2c(-c3ccc4c(c3)oc3ccc5ccccc5c34)c3c(O)c(O)c(O)c(O)c3c(-c3ccc4c(c3)[nH]c3ccc5ccccc5c34)c2c1O.
What is the InChIKey of 9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol?
The InChIKey is BULYOBCSTGGTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO9/c48-39-35-31(21-9-13-25-28(17-21)47-27-15-11-19-5-1-3-7-23(19)33(25)27)36-38(42(51)46(55)44(53)40(36)49)32(37(35)41(50)45(54)43(39)52)22-10-14-26-30(18-22)56-29-16-12-20-6-2-4-8-24(20)34(26)29/h1-18,47-55H.
What are the key properties of 9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol?
9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol has a molecular weight of 737.72 g/mol, XLogP of 10.81, 2 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7H-benzo[g]carbazol-9-yl)-10-naphtho[2,1-b][1]benzofuran-9-ylanthracene-1,2,3,4,5,6,7,8-octol is sourced from PubChem (CID 163468306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).