3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene

C44H26N4 — CID 130326127

IUPAC3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
SMILESC1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=NC9=C1C(=C8)C=CC=C1C1=C9N=CC=C1
InChIInChI=1S/C44H26N4/c1-2-11-30(12-3-1)47-37-17-6-4-13-31(37)33-21-19-28(25-40(33)47)27-20-22-39-36(24-27)32-14-5-7-18-38(32)48(39)41-26-29-10-8-15-34-35-16-9-23-45-43(35)44(46-41)42(29)34/h1-26H
InChIKeyHIUCHSNJXZTKQK-UHFFFAOYSA-N
MW610.70 g/mol
LogP10.50
Rot. Bonds3

About 3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene

3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene (PubChem CID 130326127) has the molecular formula C44H26N4 and a molecular weight of 610.70 g/mol. Its IUPAC name is 3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene.

Molecular Properties

Compound Name3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
PubChem CID130326127
Molecular FormulaC44H26N4
Molecular Weight610.70 g/mol
Exact Mass610.22
IUPAC Name3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
SMILESC1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=NC9=C1C(=C8)C=CC=C1C1=C9N=CC=C1
InChIInChI=1S/C44H26N4/c1-2-11-30(12-3-1)47-37-17-6-4-13-31(37)33-21-19-28(25-40(33)47)27-20-22-39-36(24-27)32-14-5-7-18-38(32)48(39)41-26-29-10-8-15-34-35-16-9-23-45-43(35)44(46-41)42(29)34/h1-26H
InChIKeyHIUCHSNJXZTKQK-UHFFFAOYSA-N
XLogP10.50
TPSA35.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms48
Complexity1150

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.70
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene?
The IUPAC name of 3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene (CID 130326127) is 3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene.
What is the SMILES notation for 3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene?
The canonical SMILES for 3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene is C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=NC9=C1C(=C8)C=CC=C1C1=C9N=CC=C1.
What is the InChIKey of 3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene?
The InChIKey is HIUCHSNJXZTKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-2-11-30(12-3-1)47-37-17-6-4-13-31(37)33-21-19-28(25-40(33)47)27-20-22-39-36(24-27)32-14-5-7-18-38(32)48(39)41-26-29-10-8-15-34-35-16-9-23-45-43(35)44(46-41)42(29)34/h1-26H.
What are the key properties of 3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene?
3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene has a molecular weight of 610.70 g/mol, XLogP of 10.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9-Phenylcarbazol-2-yl)carbazol-9-yl]-2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene is sourced from PubChem (CID 130326127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).