4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran

C46H28O — CID 122415610

IUPAC4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4ccc4c6ccccc6oc54)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H28O/c1-2-13-29(14-3-1)44-36-18-6-8-20-38(36)45(39-21-9-7-19-37(39)44)40-27-25-33(30-15-4-5-16-32(30)40)31-22-12-23-41-34(31)26-28-42-35-17-10-11-24-43(35)47-46(41)42/h1-28H
InChIKeyFELOIVZBDDQRHX-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran

4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran (PubChem CID 122415610) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
PubChem CID122415610
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4ccc4c6ccccc6oc54)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H28O/c1-2-13-29(14-3-1)44-36-18-6-8-20-38(36)45(39-21-9-7-19-37(39)44)40-27-25-33(30-15-4-5-16-32(30)40)31-22-12-23-41-34(31)26-28-42-35-17-10-11-24-43(35)47-46(41)42/h1-28H
InChIKeyFELOIVZBDDQRHX-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

16-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185420
4-[4-[10-(2,6-diphenylphenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 176639395
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-12,22-dioxahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185356
7-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 130185376
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
11-(10-phenylanthracen-9-yl)-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130212291
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
16-[3-(10-phenylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185277
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 163929828
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
11-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130213598
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573

Frequently Asked Questions

What is the IUPAC name of 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran (CID 122415610) is 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5c4ccc4c6ccccc6oc54)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran?
The InChIKey is FELOIVZBDDQRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-13-29(14-3-1)44-36-18-6-8-20-38(36)45(39-21-9-7-19-37(39)44)40-27-25-33(30-15-4-5-16-32(30)40)31-22-12-23-41-34(31)26-28-42-35-17-10-11-24-43(35)47-46(41)42/h1-28H.
What are the key properties of 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran?
4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran has a molecular weight of 596.73 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 122415610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).