7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran

C44H30O — CID 155205203

IUPAC7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=Cc2c(c(-c3c4ccccc4c(-c4cccc5oc6c7c(ccc6c45)C=CCC7)c4ccccc34)cc3ccccc23)CC1
InChIInChI=1S/C44H30O/c1-4-15-30-27(12-1)24-25-38-43-37(22-11-23-40(43)45-44(30)38)41-33-18-7-9-20-35(33)42(36-21-10-8-19-34(36)41)39-26-28-13-2-3-14-29(28)31-16-5-6-17-32(31)39/h1-3,5,7-14,16,18-26H,4,6,15,17H2
InChIKeyRWUPNQRTINDCMC-UHFFFAOYSA-N
MW574.72 g/mol
LogP12.30
Rot. Bonds2

About 7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran

7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran (PubChem CID 155205203) has the molecular formula C44H30O and a molecular weight of 574.72 g/mol. Its IUPAC name is 7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
PubChem CID155205203
Molecular FormulaC44H30O
Molecular Weight574.72 g/mol
Exact Mass574.23
IUPAC Name7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=Cc2c(c(-c3c4ccccc4c(-c4cccc5oc6c7c(ccc6c45)C=CCC7)c4ccccc34)cc3ccccc23)CC1
InChIInChI=1S/C44H30O/c1-4-15-30-27(12-1)24-25-38-43-37(22-11-23-40(43)45-44(30)38)41-33-18-7-9-20-35(33)42(36-21-10-8-19-34(36)41)39-26-28-13-2-3-14-29(28)31-16-5-6-17-32(31)39/h1-3,5,7-14,16,18-26H,4,6,15,17H2
InChIKeyRWUPNQRTINDCMC-UHFFFAOYSA-N
XLogP12.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.72
LogP ≤ 512.30
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

7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205350
7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205865
2-[6-(1,2-dihydronaphtho[2,1-b][1]benzofuran-8-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 170220980
1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran
CID 135208618
1-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]-9,10-dihydronaphtho[2,3-b][1]benzofuran
CID 155203898
2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 155205856
7-(2-methylphenyl)-3,4-dihydronaphtho[1,2-b][1]benzofuran
CID 166939721
7-[10-(2-phenylphenyl)-3,4-dihydroanthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 144583429
6-naphthalen-2-yl-1-[10-(2-triphenylen-2-ylphenyl)anthracen-9-yl]dibenzofuran
CID 155454144
7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran
CID 177072224
1-phenyl-6-[10-[5-[6-(10-phenylanthracen-9-yl)naphthalen-1-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 175617518
9-(3,10-diphenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 175630373

Frequently Asked Questions

What is the IUPAC name of 7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
The IUPAC name of 7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran (CID 155205203) is 7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran is C1=Cc2c(c(-c3c4ccccc4c(-c4cccc5oc6c7c(ccc6c45)C=CCC7)c4ccccc34)cc3ccccc23)CC1.
What is the InChIKey of 7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
The InChIKey is RWUPNQRTINDCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O/c1-4-15-30-27(12-1)24-25-38-43-37(22-11-23-40(43)45-44(30)38)41-33-18-7-9-20-35(33)42(36-21-10-8-19-34(36)41)39-26-28-13-2-3-14-29(28)31-16-5-6-17-32(31)39/h1-3,5,7-14,16,18-26H,4,6,15,17H2.
What are the key properties of 7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran?
7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran has a molecular weight of 574.72 g/mol, XLogP of 12.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 155205203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).