10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline

C56H50N4 — CID 146426119

IUPAC10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline
SMILESCC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)C)cc3c3cc(C(C)C)ccc32)c2nc3c4ccccc4c4ccccc4c3nc12
InChIInChI=1S/C56H50N4/c1-31(2)35-17-21-47-43(27-35)44-28-36(32(3)4)18-22-48(44)59(47)51-25-26-52(60-49-23-19-37(33(5)6)29-45(49)46-30-38(34(7)8)20-24-50(46)60)56-55(51)57-53-41-15-11-9-13-39(41)40-14-10-12-16-42(40)54(53)58-56/h9-34H,1-8H3
InChIKeyMTAYSDMTQGOJSF-UHFFFAOYSA-N
MW779.04 g/mol
LogP15.78
Rot. Bonds6

About 10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline

10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline (PubChem CID 146426119) has the molecular formula C56H50N4 and a molecular weight of 779.04 g/mol. Its IUPAC name is 10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline.

Molecular Properties

Compound Name10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline
PubChem CID146426119
Molecular FormulaC56H50N4
Molecular Weight779.04 g/mol
Exact Mass778.40
IUPAC Name10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline
SMILESCC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)C)cc3c3cc(C(C)C)ccc32)c2nc3c4ccccc4c4ccccc4c3nc12
InChIInChI=1S/C56H50N4/c1-31(2)35-17-21-47-43(27-35)44-28-36(32(3)4)18-22-48(44)59(47)51-25-26-52(60-49-23-19-37(33(5)6)29-45(49)46-30-38(34(7)8)20-24-50(46)60)56-55(51)57-53-41-15-11-9-13-39(41)40-14-10-12-16-42(40)54(53)58-56/h9-34H,1-8H3
InChIKeyMTAYSDMTQGOJSF-UHFFFAOYSA-N
XLogP15.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.04
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline with MolForge

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Related Compounds

3-propan-2-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 166922874
2,3,5,6-tetrakis(3-propan-2-ylcarbazol-9-yl)benzonitrile
CID 146343068
3-propan-2-ylchrysene
CID 54288405
1,4-di(carbazol-9-yl)-6-(3-carbazol-9-ylphenyl)indolo[3,2-b]quinoxaline
CID 140917920
9-(4-tert-butylphenyl)-3-propan-2-ylcarbazole
CID 170191749
1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine
CID 140917926
9,10-dimethyl-2-propan-2-ylphenanthrene
CID 140734876
5,20-di(propan-2-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 154591260
3-[2-(3,6-dimethylcarbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 58410384
9-(3-fluorophenyl)-3,6-di(propan-2-yl)carbazole
CID 154631744
10-methyl-2-propan-2-ylphenanthrene
CID 613068
9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232684

Frequently Asked Questions

What is the IUPAC name of 10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline?
The IUPAC name of 10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline (CID 146426119) is 10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline.
What is the SMILES notation for 10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline?
The canonical SMILES for 10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline is CC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)C)cc3c3cc(C(C)C)ccc32)c2nc3c4ccccc4c4ccccc4c3nc12.
What is the InChIKey of 10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline?
The InChIKey is MTAYSDMTQGOJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N4/c1-31(2)35-17-21-47-43(27-35)44-28-36(32(3)4)18-22-48(44)59(47)51-25-26-52(60-49-23-19-37(33(5)6)29-45(49)46-30-38(34(7)8)20-24-50(46)60)56-55(51)57-53-41-15-11-9-13-39(41)40-14-10-12-16-42(40)54(53)58-56/h9-34H,1-8H3.
What are the key properties of 10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline?
10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline has a molecular weight of 779.04 g/mol, XLogP of 15.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-bis[3,6-di(propan-2-yl)carbazol-9-yl]phenanthro[9,10-b]quinoxaline is sourced from PubChem (CID 146426119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).