3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol

C46H30N4O2 — CID 155104516

IUPAC3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol
SMILESOc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(/C=N/c2cccc3cc(-n4c5ccccc5c5ccccc54)cc(O)c23)n1
InChIInChI=1S/C46H30N4O2/c51-44-26-31(49-40-19-5-1-13-33(40)34-14-2-6-20-41(34)49)23-24-37(44)38-17-10-12-30(48-38)28-47-39-18-9-11-29-25-32(27-45(52)46(29)39)50-42-21-7-3-15-35(42)36-16-4-8-22-43(36)50/h1-28,51-52H/b47-28+
InChIKeyRIVUUVOIXOGMHL-DIPIWMKSSA-N
MW670.77 g/mol
LogP11.26
Rot. Bonds5

About 3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol

3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol (PubChem CID 155104516) has the molecular formula C46H30N4O2 and a molecular weight of 670.77 g/mol. Its IUPAC name is 3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol.

Molecular Properties

Compound Name3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol
PubChem CID155104516
Molecular FormulaC46H30N4O2
Molecular Weight670.77 g/mol
Exact Mass670.24
IUPAC Name3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol
SMILESOc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(/C=N/c2cccc3cc(-n4c5ccccc5c5ccccc54)cc(O)c23)n1
InChIInChI=1S/C46H30N4O2/c51-44-26-31(49-40-19-5-1-13-33(40)34-14-2-6-20-41(34)49)23-24-37(44)38-17-10-12-30(48-38)28-47-39-18-9-11-29-25-32(27-45(52)46(29)39)50-42-21-7-3-15-35(42)36-16-4-8-22-43(36)50/h1-28,51-52H/b47-28+
InChIKeyRIVUUVOIXOGMHL-DIPIWMKSSA-N
XLogP11.26
TPSA75.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.77
LogP ≤ 511.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol?
The IUPAC name of 3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol (CID 155104516) is 3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol.
What is the SMILES notation for 3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol?
The canonical SMILES for 3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol is Oc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(/C=N/c2cccc3cc(-n4c5ccccc5c5ccccc54)cc(O)c23)n1.
What is the InChIKey of 3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol?
The InChIKey is RIVUUVOIXOGMHL-DIPIWMKSSA-N. The full InChI is InChI=1S/C46H30N4O2/c51-44-26-31(49-40-19-5-1-13-33(40)34-14-2-6-20-41(34)49)23-24-37(44)38-17-10-12-30(48-38)28-47-39-18-9-11-29-25-32(27-45(52)46(29)39)50-42-21-7-3-15-35(42)36-16-4-8-22-43(36)50/h1-28,51-52H/b47-28+.
What are the key properties of 3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol?
3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol has a molecular weight of 670.77 g/mol, XLogP of 11.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-8-[[6-(4-carbazol-9-yl-2-hydroxyphenyl)-2-pyridinyl]methylideneamino]naphthalen-1-ol is sourced from PubChem (CID 155104516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).