2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine

C45H27NO — CID 134487557

IUPAC2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine
SMILESc1ccc(-c2cc3oc4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4c3c3ccccc23)nc1
InChIInChI=1S/C45H27NO/c1-2-12-29-25-30(21-20-28(29)11-1)43-34-15-5-7-17-36(34)44(37-18-8-6-16-35(37)43)31-22-23-41-39(26-31)45-33-14-4-3-13-32(33)38(27-42(45)47-41)40-19-9-10-24-46-40/h1-27H
InChIKeyIHAVOGBXXGYGAN-UHFFFAOYSA-N
MW597.72 g/mol
LogP12.59
Rot. Bonds3

About 2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine

2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine (PubChem CID 134487557) has the molecular formula C45H27NO and a molecular weight of 597.72 g/mol. Its IUPAC name is 2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine.

Molecular Properties

Compound Name2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine
PubChem CID134487557
Molecular FormulaC45H27NO
Molecular Weight597.72 g/mol
Exact Mass597.21
IUPAC Name2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine
SMILESc1ccc(-c2cc3oc4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4c3c3ccccc23)nc1
InChIInChI=1S/C45H27NO/c1-2-12-29-25-30(21-20-28(29)11-1)43-34-15-5-7-17-36(34)44(37-18-8-6-16-35(37)43)31-22-23-41-39(26-31)45-33-14-4-3-13-32(33)38(27-42(45)47-41)40-19-9-10-24-46-40/h1-27H
InChIKeyIHAVOGBXXGYGAN-UHFFFAOYSA-N
XLogP12.59
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 134487561
10-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 154595990
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907
9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12,22-dioxahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 130185328
2-[21-(10-naphthalen-2-ylanthracen-9-yl)-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl]pyridine
CID 59582996
9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130188657
9-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12,16-dioxahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 130185327
10-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 153473901
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-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 122427327
2-[4-(6-dibenzofuran-2-ylnaphthalen-2-yl)phenyl]pyridine
CID 171056233
4-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,1-b][1]benzofuran
CID 122415609

Frequently Asked Questions

What is the IUPAC name of 2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine?
The IUPAC name of 2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine (CID 134487557) is 2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine.
What is the SMILES notation for 2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine?
The canonical SMILES for 2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine is c1ccc(-c2cc3oc4ccc(-c5c6ccccc6c(-c6ccc7ccccc7c6)c6ccccc56)cc4c3c3ccccc23)nc1.
What is the InChIKey of 2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine?
The InChIKey is IHAVOGBXXGYGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27NO/c1-2-12-29-25-30(21-20-28(29)11-1)43-34-15-5-7-17-36(34)44(37-18-8-6-16-35(37)43)31-22-23-41-39(26-31)45-33-14-4-3-13-32(33)38(27-42(45)47-41)40-19-9-10-24-46-40/h1-27H.
What are the key properties of 2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine?
2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine has a molecular weight of 597.72 g/mol, XLogP of 12.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran-5-yl]pyridine is sourced from PubChem (CID 134487557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).