1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine

C52H54N4 — CID 140917926

IUPAC1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2nc3ccccc3nc12
InChIInChI=1S/C52H54N4/c1-49(2,3)31-17-21-41-35(27-31)36-28-32(50(4,5)6)18-22-42(36)55(41)45-25-26-46(48-47(45)53-39-15-13-14-16-40(39)54-48)56-43-23-19-33(51(7,8)9)29-37(43)38-30-34(52(10,11)12)20-24-44(38)56/h13-30H,1-12H3
InChIKeyWUFVQDGGJJZTKE-UHFFFAOYSA-N
MW735.03 g/mol
LogP14.17
Rot. Bonds2

About 1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine

1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine (PubChem CID 140917926) has the molecular formula C52H54N4 and a molecular weight of 735.03 g/mol. Its IUPAC name is 1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine.

Molecular Properties

Compound Name1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine
PubChem CID140917926
Molecular FormulaC52H54N4
Molecular Weight735.03 g/mol
Exact Mass734.43
IUPAC Name1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2nc3ccccc3nc12
InChIInChI=1S/C52H54N4/c1-49(2,3)31-17-21-41-35(27-31)36-28-32(50(4,5)6)18-22-42(36)55(41)45-25-26-46(48-47(45)53-39-15-13-14-16-40(39)54-48)56-43-23-19-33(51(7,8)9)29-37(43)38-30-34(52(10,11)12)20-24-44(38)56/h13-30H,1-12H3
InChIKeyWUFVQDGGJJZTKE-UHFFFAOYSA-N
XLogP14.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.03
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3,6-ditert-butyl-9-quinoxalin-2-ylcarbazole
CID 177383382
3,6-ditert-butyl-9-[8-[5-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-diphenylquinoxalin-5-yl]-2-pyridinyl]-2,3-diphenylquinoxalin-5-yl]carbazole
CID 167005264
14,29-ditert-butyl-3,10,18,25-tetrazaoctacyclo[14.14.2.02,11.04,9.012,32.017,26.019,24.027,31]dotriaconta-1(30),2,4,6,8,10,12,14,16(32),17,19,21,23,25,27(31),28-hexadecaene
CID 10506109
9-[2-bromo-3-[2-(2,6-dimethylphenyl)benzimidazol-1-yl]phenyl]-3,6-ditert-butylcarbazole
CID 155244081
3,6-ditert-butyl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-diphenylphenyl]carbazole
CID 140903241
3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 102188971
1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
CID 140917933
4-(3,6-ditert-butylcarbazol-9-yl)tetrazolo[1,5-a]quinoxaline
CID 172994583
26-tert-butyl-1,16-diazaheptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-2(15),3,5,7,9,11,13,16,18,20,22,24(29),25,27-tetradecaene
CID 122393458
3,6-ditert-butyl-9-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]-3-pyridinyl]carbazole
CID 122433677
3,6-ditert-butyl-9-[4-(2,6-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 153459784
9-[2-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]phenyl]-3,6-ditert-butylcarbazole
CID 155636636

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine?
The IUPAC name of 1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine (CID 140917926) is 1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine.
What is the SMILES notation for 1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine?
The canonical SMILES for 1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2nc3ccccc3nc12.
What is the InChIKey of 1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine?
The InChIKey is WUFVQDGGJJZTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H54N4/c1-49(2,3)31-17-21-41-35(27-31)36-28-32(50(4,5)6)18-22-42(36)55(41)45-25-26-46(48-47(45)53-39-15-13-14-16-40(39)54-48)56-43-23-19-33(51(7,8)9)29-37(43)38-30-34(52(10,11)12)20-24-44(38)56/h13-30H,1-12H3.
What are the key properties of 1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine?
1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine has a molecular weight of 735.03 g/mol, XLogP of 14.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(3,6-ditert-butylcarbazol-9-yl)phenazine is sourced from PubChem (CID 140917926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).