N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine

C41H30N4 — CID 126560392

IUPACN-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine
SMILESC=NCn1c2ccccc2c2cc(-n3c4ccccc4c4cc5c(cc43)C(C)(c3ccccc3)C(c3ccccc3)=N5)ccc21
InChIInChI=1S/C41H30N4/c1-41(28-15-7-4-8-16-28)34-25-39-33(24-35(34)43-40(41)27-13-5-3-6-14-27)31-18-10-12-20-38(31)45(39)29-21-22-37-32(23-29)30-17-9-11-19-36(30)44(37)26-42-2/h3-25H,2,26H2,1H3
InChIKeyNGYUUBXUNKASGM-UHFFFAOYSA-N
MW578.72 g/mol
LogP9.99
Rot. Bonds5

About N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine

N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine (PubChem CID 126560392) has the molecular formula C41H30N4 and a molecular weight of 578.72 g/mol. Its IUPAC name is N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine.

Molecular Properties

Compound NameN-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine
PubChem CID126560392
Molecular FormulaC41H30N4
Molecular Weight578.72 g/mol
Exact Mass578.25
IUPAC NameN-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine
SMILESC=NCn1c2ccccc2c2cc(-n3c4ccccc4c4cc5c(cc43)C(C)(c3ccccc3)C(c3ccccc3)=N5)ccc21
InChIInChI=1S/C41H30N4/c1-41(28-15-7-4-8-16-28)34-25-39-33(24-35(34)43-40(41)27-13-5-3-6-14-27)31-18-10-12-20-38(31)45(39)29-21-22-37-32(23-29)30-17-9-11-19-36(30)44(37)26-42-2/h3-25H,2,26H2,1H3
InChIKeyNGYUUBXUNKASGM-UHFFFAOYSA-N
XLogP9.99
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1,2-diphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole
CID 126559999
1,1,2-triphenyl-9-(3-phenylphenyl)pyrrolo[3,2-b]carbazole
CID 126561134
N-[(3-phenylcarbazol-9-yl)methyl]methanimine
CID 162363069
ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole
CID 145243253
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
5-(9,9-dimethylfluoren-3-yl)-7-methyl-7-phenylindeno[2,1-b]carbazole
CID 131973274
1,1-dimethyl-9-[1-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1H-inden-5-yl]-2-phenylpyrrolo[3,2-b]carbazole
CID 126559816
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
2-carbazol-9-yl-5,7-diphenylindolo[2,3-b]carbazole
CID 118504684

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine?
The IUPAC name of N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine (CID 126560392) is N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine.
What is the SMILES notation for N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine?
The canonical SMILES for N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine is C=NCn1c2ccccc2c2cc(-n3c4ccccc4c4cc5c(cc43)C(C)(c3ccccc3)C(c3ccccc3)=N5)ccc21.
What is the InChIKey of N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine?
The InChIKey is NGYUUBXUNKASGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30N4/c1-41(28-15-7-4-8-16-28)34-25-39-33(24-35(34)43-40(41)27-13-5-3-6-14-27)31-18-10-12-20-38(31)45(39)29-21-22-37-32(23-29)30-17-9-11-19-36(30)44(37)26-42-2/h3-25H,2,26H2,1H3.
What are the key properties of N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine?
N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine has a molecular weight of 578.72 g/mol, XLogP of 9.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methyl-1,2-diphenylpyrrolo[3,2-b]carbazol-9-yl)carbazol-9-yl]methyl]methanimine is sourced from PubChem (CID 126560392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).