2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole

C38H30N4O — CID 160515375

IUPAC2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc32)c1
InChIInChI=1S/C38H30N4O/c1-38(2,3)25-19-21-40-37(22-25)42-33-13-7-5-11-29(33)31-18-16-27(24-35(31)42)43-26-15-17-30-28-10-4-6-12-32(28)41(34(30)23-26)36-14-8-9-20-39-36/h4-24H,1-3H3
InChIKeyVGKWKEIPBJRRIS-UHFFFAOYSA-N
MW558.69 g/mol
LogP9.76
Rot. Bonds4

About 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole

2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole (PubChem CID 160515375) has the molecular formula C38H30N4O and a molecular weight of 558.69 g/mol. Its IUPAC name is 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
PubChem CID160515375
Molecular FormulaC38H30N4O
Molecular Weight558.69 g/mol
Exact Mass558.24
IUPAC Name2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc32)c1
InChIInChI=1S/C38H30N4O/c1-38(2,3)25-19-21-40-37(22-25)42-33-13-7-5-11-29(33)31-18-16-27(24-35(31)42)43-26-15-17-30-28-10-4-6-12-32(28)41(34(30)23-26)36-14-8-9-20-39-36/h4-24H,1-3H3
InChIKeyVGKWKEIPBJRRIS-UHFFFAOYSA-N
XLogP9.76
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.69
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
2-[3-(benzimidazol-1-yl)-5-carbazol-9-ylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 148690456
2-(3-tert-butyl-5-pyridin-2-ylphenoxy)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158919031
2-[3-tert-butyl-5-(3-methyl-2H-triazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 140788878
2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)benzimidazole-1,3-diium-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 167415388
6-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-11-methyltetrazolo[1,5-f]phenanthridine
CID 153411451
9-(4-tert-butyl-2-pyridinyl)-2-(3-imidazo[1,2-a]imidazol-7-ylphenoxy)carbazole
CID 169289244
2-[3-[3-(4-tert-butylphenyl)-2H-triazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162274979
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]carbazole
CID 154483088
19-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-1,9,23-triazadecacyclo[29.10.1.02,7.08,24.09,22.010,15.016,21.025,30.035,42.036,41]dotetraconta-2,4,6,8(24),10,12,14,16(21),17,19,22,25,27,29,31(42),32,34,36,38,40-icosaene
CID 168811501
4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine
CID 155649959

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole (CID 160515375) is 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)cc32)c1.
What is the InChIKey of 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole?
The InChIKey is VGKWKEIPBJRRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4O/c1-38(2,3)25-19-21-40-37(22-25)42-33-13-7-5-11-29(33)31-18-16-27(24-35(31)42)43-26-15-17-30-28-10-4-6-12-32(28)41(34(30)23-26)36-14-8-9-20-39-36/h4-24H,1-3H3.
What are the key properties of 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole?
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole has a molecular weight of 558.69 g/mol, XLogP of 9.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 160515375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).