CID 168812360

C25H14NO2 — CID 168812360

IUPAC—
SMILESO=c1c2c[c]ccc2oc2ccc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C25H14NO2/c27-25-19-9-3-6-12-23(19)28-24-14-13-16(15-20(24)25)26-21-10-4-1-7-17(21)18-8-2-5-11-22(18)26/h1-2,4-15H
InChIKeyGUNXJGOYKZXOHG-UHFFFAOYSA-N
MW360.39 g/mol
LogP5.84
Rot. Bonds1

About CID 168812360

CID 168812360 (PubChem CID 168812360) has the molecular formula C25H14NO2 and a molecular weight of 360.39 g/mol.

Molecular Properties

Compound NameCID 168812360
PubChem CID168812360
Molecular FormulaC25H14NO2
Molecular Weight360.39 g/mol
Exact Mass360.10
IUPAC Name—
SMILESO=c1c2c[c]ccc2oc2ccc(-n3c4ccccc4c4ccccc43)cc12
InChIInChI=1S/C25H14NO2/c27-25-19-9-3-6-12-23(19)28-24-14-13-16(15-20(24)25)26-21-10-4-1-7-17(21)18-8-2-5-11-22(18)26/h1-2,4-15H
InChIKeyGUNXJGOYKZXOHG-UHFFFAOYSA-N
XLogP5.84
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
9-[16-(16-carbazol-9-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 59147197
9-(16-carbazol-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(19),15,17-nonaen-7-yl)carbazole
CID 59147402
10-carbazol-9-yl-7,12-dihydronaphtho[2,3-b]xanthen-14-one
CID 164850216
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
5-(8-carbazol-9-yldibenzofuran-2-yl)cyclohepta[b]indole
CID 144687418
9-[8-(3-sulfanylcarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-thiol
CID 59445003
bis(18-carbazol-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(20),16,18-nonaen-5-yl)-oxophosphanium
CID 59147587
9-[8-(3-cyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile
CID 118386470
9-(8-carbazol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile
CID 118396755
9-(17-carbazol-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(20),16,18-nonaen-6-yl)carbazole
CID 59147574
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372

Frequently Asked Questions

What is the IUPAC name of CID 168812360?
The IUPAC name of CID 168812360 (CID 168812360) is not available.
What is the SMILES notation for CID 168812360?
The canonical SMILES for CID 168812360 is O=c1c2c[c]ccc2oc2ccc(-n3c4ccccc4c4ccccc43)cc12.
What is the InChIKey of CID 168812360?
The InChIKey is GUNXJGOYKZXOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14NO2/c27-25-19-9-3-6-12-23(19)28-24-14-13-16(15-20(24)25)26-21-10-4-1-7-17(21)18-8-2-5-11-22(18)26/h1-2,4-15H.
What are the key properties of CID 168812360?
CID 168812360 has a molecular weight of 360.39 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168812360 is sourced from PubChem (CID 168812360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).