N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide

C34H27F2N5O2 — CID 123203874

IUPACN-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide
SMILESC/N=C/N(c1ccccc1O)c1cc(N(C=O)c2ccccc2NC)c(F)c(-n2c3ccccc3c3ccccc32)c1F
InChIInChI=1S/C34H27F2N5O2/c1-37-20-39(28-17-9-10-18-31(28)43)29-19-30(40(21-42)27-16-8-5-13-24(27)38-2)33(36)34(32(29)35)41-25-14-6-3-11-22(25)23-12-4-7-15-26(23)41/h3-21,38,43H,1-2H3/b37-20+
InChIKeyBBCVRDMMOYVAEI-HASSKWOGSA-N
MW575.62 g/mol
LogP7.90
Rot. Bonds8

About N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide

N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide (PubChem CID 123203874) has the molecular formula C34H27F2N5O2 and a molecular weight of 575.62 g/mol. Its IUPAC name is N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide.

Molecular Properties

Compound NameN-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide
PubChem CID123203874
Molecular FormulaC34H27F2N5O2
Molecular Weight575.62 g/mol
Exact Mass575.21
IUPAC NameN-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide
SMILESC/N=C/N(c1ccccc1O)c1cc(N(C=O)c2ccccc2NC)c(F)c(-n2c3ccccc3c3ccccc32)c1F
InChIInChI=1S/C34H27F2N5O2/c1-37-20-39(28-17-9-10-18-31(28)43)29-19-30(40(21-42)27-16-8-5-13-24(27)38-2)33(36)34(32(29)35)41-25-14-6-3-11-22(25)23-12-4-7-15-26(23)41/h3-21,38,43H,1-2H3/b37-20+
InChIKeyBBCVRDMMOYVAEI-HASSKWOGSA-N
XLogP7.90
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.62
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(3-Carbazol-9-yl-5-fluoro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4-fluoro-6-(2-phenylanilino)phenol
CID 140633478
2-(N-[3-[2-(4-phenylanilino)carbazol-9-yl]phenyl]anilino)phenol
CID 130250523
N-[2-[2-[3-(1,2-dihydropyrido[3,2-b]indol-5-yl)-2-hydroxyphenyl]anilino]phenyl]-N'-phenylmethanimidamide
CID 145103622
2-N-(2-aminophenyl)benzene-1,2-diamine;9H-carbazole;N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide;ethane
CID 145103630
N-[2-[2-(3-carbazol-9-yl-2-hydroxyphenyl)anilino]phenyl]-N'-phenylmethanimidamide
CID 145103631
2-[3-(aminomethyl)-2H-benzimidazol-1-yl]-4-(1,8-diphenylcarbazol-9-yl)phenol
CID 176843445

Frequently Asked Questions

What is the IUPAC name of N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide?
The IUPAC name of N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide (CID 123203874) is N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide.
What is the SMILES notation for N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide?
The canonical SMILES for N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide is C/N=C/N(c1ccccc1O)c1cc(N(C=O)c2ccccc2NC)c(F)c(-n2c3ccccc3c3ccccc32)c1F.
What is the InChIKey of N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide?
The InChIKey is BBCVRDMMOYVAEI-HASSKWOGSA-N. The full InChI is InChI=1S/C34H27F2N5O2/c1-37-20-39(28-17-9-10-18-31(28)43)29-19-30(40(21-42)27-16-8-5-13-24(27)38-2)33(36)34(32(29)35)41-25-14-6-3-11-22(25)23-12-4-7-15-26(23)41/h3-21,38,43H,1-2H3/b37-20+.
What are the key properties of N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide?
N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide has a molecular weight of 575.62 g/mol, XLogP of 7.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbazol-9-yl-2,4-difluoro-5-[2-hydroxy-N-(methyliminomethyl)anilino]phenyl]-N-[2-(methylamino)phenyl]formamide is sourced from PubChem (CID 123203874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).