4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile

C37H21NO — CID 170375637

IUPAC4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c2ccccc12
InChIInChI=1S/C37H21NO/c38-22-24-17-19-32(26-10-2-1-9-25(24)26)37-30-14-5-3-12-28(30)36(29-13-4-6-15-31(29)37)23-18-20-35-33(21-23)27-11-7-8-16-34(27)39-35/h1-21H
InChIKeyMVDNNSHTRCCXPQ-UHFFFAOYSA-N
MW495.58 g/mol
LogP10.25
Rot. Bonds2

About 4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile

4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile (PubChem CID 170375637) has the molecular formula C37H21NO and a molecular weight of 495.58 g/mol. Its IUPAC name is 4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile
PubChem CID170375637
Molecular FormulaC37H21NO
Molecular Weight495.58 g/mol
Exact Mass495.16
IUPAC Name4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c2ccccc12
InChIInChI=1S/C37H21NO/c38-22-24-17-19-32(26-10-2-1-9-25(24)26)37-30-14-5-3-12-28(30)36(29-13-4-6-15-31(29)37)23-18-20-35-33(21-23)27-11-7-8-16-34(27)39-35/h1-21H
InChIKeyMVDNNSHTRCCXPQ-UHFFFAOYSA-N
XLogP10.25
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 510.25
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

2-(10-dibenzofuran-2-ylanthracen-9-yl)benzonitrile
CID 170374738
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-[2-cyano-3,6-di(dibenzofuran-2-yl)phenyl]benzene-1,3-dicarbonitrile
CID 146354711
2-(2-cyanophenyl)-3,6-di(dibenzofuran-2-yl)benzonitrile
CID 146354517
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415794
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2,5-di(dibenzofuran-2-yl)-3-phenylbenzene-1,4-dicarbonitrile
CID 146353866
2-[10-(2,4-difluorophenyl)anthracen-9-yl]dibenzofuran
CID 170374741
4-[10-(16-oxa-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaen-4-yl)anthracen-9-yl]naphthalene-1-carbonitrile
CID 134389020
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991

Frequently Asked Questions

What is the IUPAC name of 4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile?
The IUPAC name of 4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile (CID 170375637) is 4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile is N#Cc1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)c2ccccc12.
What is the InChIKey of 4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile?
The InChIKey is MVDNNSHTRCCXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO/c38-22-24-17-19-32(26-10-2-1-9-25(24)26)37-30-14-5-3-12-28(30)36(29-13-4-6-15-31(29)37)23-18-20-35-33(21-23)27-11-7-8-16-34(27)39-35/h1-21H.
What are the key properties of 4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile?
4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile has a molecular weight of 495.58 g/mol, XLogP of 10.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 170375637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).