4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide

C38H26N4 — CID 155708100

IUPAC4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C/n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C38H26N4/c39-38(28-21-19-27(20-22-28)26-11-3-1-4-12-26)40-25-41-34-17-9-7-15-30(34)32-23-24-33-31-16-8-10-18-35(31)42(37(33)36(32)41)29-13-5-2-6-14-29/h1-25,39H/b39-38+,40-25+
InChIKeyWFSPRENJNDXQQN-QAONBSAESA-N
MW538.65 g/mol
LogP9.46
Rot. Bonds4

About 4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide

4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide (PubChem CID 155708100) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide.

Molecular Properties

Compound Name4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide
PubChem CID155708100
Molecular FormulaC38H26N4
Molecular Weight538.65 g/mol
Exact Mass538.22
IUPAC Name4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C/n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C38H26N4/c39-38(28-21-19-27(20-22-28)26-11-3-1-4-12-26)40-25-41-34-17-9-7-15-30(34)32-23-24-33-31-16-8-10-18-35(31)42(37(33)36(32)41)29-13-5-2-6-14-29/h1-25,39H/b39-38+,40-25+
InChIKeyWFSPRENJNDXQQN-QAONBSAESA-N
XLogP9.46
TPSA46.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.65
LogP ≤ 59.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
4-[3-phenyl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenol
CID 170360926
11-phenyl-12-[9-(3-phenylphenyl)carbazol-1-yl]indolo[2,3-a]carbazole
CID 164800329
11-[3-(4-phenylphenyl)phenyl]-12-[3-[11-[3-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazol-12-yl]phenyl]indolo[2,3-a]carbazole
CID 170394025
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 142481953
11-phenyl-12-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[2,3-a]carbazole
CID 134168606
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
11-phenyl-12-[6-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole
CID 134240187
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide?
The IUPAC name of 4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide (CID 155708100) is 4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide.
What is the SMILES notation for 4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide?
The canonical SMILES for 4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide is [H]/N=C(/N=C/n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide?
The InChIKey is WFSPRENJNDXQQN-QAONBSAESA-N. The full InChI is InChI=1S/C38H26N4/c39-38(28-21-19-27(20-22-28)26-11-3-1-4-12-26)40-25-41-34-17-9-7-15-30(34)32-23-24-33-31-16-8-10-18-35(31)42(37(33)36(32)41)29-13-5-2-6-14-29/h1-25,39H/b39-38+,40-25+.
What are the key properties of 4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide?
4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide has a molecular weight of 538.65 g/mol, XLogP of 9.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(12-phenylindolo[2,3-a]carbazol-11-yl)methylidene]benzenecarboximidamide is sourced from PubChem (CID 155708100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).