N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide

C37H28N4O — CID 145103631

IUPACN-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide
SMILESOc1c(-c2ccccc2Nc2ccccc2N/C=N/c2ccccc2)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H28N4O/c42-37-30(18-12-24-36(37)41-34-22-10-5-16-28(34)29-17-6-11-23-35(29)41)27-15-4-7-19-31(27)40-33-21-9-8-20-32(33)39-25-38-26-13-2-1-3-14-26/h1-25,40,42H,(H,38,39)
InChIKeyBMVNIWXIOCBMDZ-UHFFFAOYSA-N
MW544.66 g/mol
LogP9.67
Rot. Bonds7

About N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide

N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide (PubChem CID 145103631) has the molecular formula C37H28N4O and a molecular weight of 544.66 g/mol. Its IUPAC name is N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide.

Molecular Properties

Compound NameN-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide
PubChem CID145103631
Molecular FormulaC37H28N4O
Molecular Weight544.66 g/mol
Exact Mass544.23
IUPAC NameN-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide
SMILESOc1c(-c2ccccc2Nc2ccccc2N/C=N/c2ccccc2)cccc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C37H28N4O/c42-37-30(18-12-24-36(37)41-34-22-10-5-16-28(34)29-17-6-11-23-35(29)41)27-15-4-7-19-31(27)40-33-21-9-8-20-32(33)39-25-38-26-13-2-1-3-14-26/h1-25,40,42H,(H,38,39)
InChIKeyBMVNIWXIOCBMDZ-UHFFFAOYSA-N
XLogP9.67
TPSA61.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 59.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide?
The IUPAC name of N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide (CID 145103631) is N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide.
What is the SMILES notation for N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide?
The canonical SMILES for N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide is Oc1c(-c2ccccc2Nc2ccccc2N/C=N/c2ccccc2)cccc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide?
The InChIKey is BMVNIWXIOCBMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N4O/c42-37-30(18-12-24-36(37)41-34-22-10-5-16-28(34)29-17-6-11-23-35(29)41)27-15-4-7-19-31(27)40-33-21-9-8-20-32(33)39-25-38-26-13-2-1-3-14-26/h1-25,40,42H,(H,38,39).
What are the key properties of N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide?
N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide has a molecular weight of 544.66 g/mol, XLogP of 9.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide is sourced from PubChem (CID 145103631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).