(11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine

C25H20N4 — CID 121355648

IUPAC(11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine
SMILESNC(N)n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C25H20N4/c26-25(27)29-22-13-7-5-11-18(22)20-15-14-19-17-10-4-6-12-21(17)28(23(19)24(20)29)16-8-2-1-3-9-16/h1-15,25H,26-27H2
InChIKeyADFQZIWNEPZPHV-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.27
Rot. Bonds2

About (11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine

(11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine (PubChem CID 121355648) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is (11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine.

Molecular Properties

Compound Name(11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine
PubChem CID121355648
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name(11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine
SMILESNC(N)n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C25H20N4/c26-25(27)29-22-13-7-5-11-18(22)20-15-14-19-17-10-4-6-12-21(17)28(23(19)24(20)29)16-8-2-1-3-9-16/h1-15,25H,26-27H2
InChIKeyADFQZIWNEPZPHV-UHFFFAOYSA-N
XLogP5.27
TPSA61.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
11-phenyl-12-[2-[2-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 126652554
12,15-diphenyl-12,15-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-1(16),2(14),3,5(13),6,8,10,17,19,21,23,25,27-tridecaene
CID 130452310
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
CID 88576991
3,24-diphenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122464954
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
11-cyclohexa-1,3-dien-1-yl-12-phenylindolo[2,3-a]carbazole
CID 134390608

Frequently Asked Questions

What is the IUPAC name of (11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine?
The IUPAC name of (11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine (CID 121355648) is (11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine.
What is the SMILES notation for (11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine?
The canonical SMILES for (11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine is NC(N)n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of (11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine?
The InChIKey is ADFQZIWNEPZPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4/c26-25(27)29-22-13-7-5-11-18(22)20-15-14-19-17-10-4-6-12-21(17)28(23(19)24(20)29)16-8-2-1-3-9-16/h1-15,25H,26-27H2.
What are the key properties of (11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine?
(11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine has a molecular weight of 376.46 g/mol, XLogP of 5.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11-phenylindolo[2,3-a]carbazol-12-yl)methanediamine is sourced from PubChem (CID 121355648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).