4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine

C41H36N4O — CID 155649959

IUPAC4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5ccc6cnc7c(C(C)(C)C)ccnc7c6c5c4)cc32)c1
InChIInChI=1S/C41H36N4O/c1-40(2,3)27-17-19-42-36(21-27)45-34-10-8-7-9-30(34)31-16-15-29(23-35(31)45)46-28-14-13-25-11-12-26-24-44-38-33(41(4,5)6)18-20-43-39(38)37(26)32(25)22-28/h7-24H,1-6H3
InChIKeyNRLQZOJZGRXYSL-UHFFFAOYSA-N
MW600.77 g/mol
LogP10.82
Rot. Bonds3

About 4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine

4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine (PubChem CID 155649959) has the molecular formula C41H36N4O and a molecular weight of 600.77 g/mol. Its IUPAC name is 4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine.

Molecular Properties

Compound Name4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine
PubChem CID155649959
Molecular FormulaC41H36N4O
Molecular Weight600.77 g/mol
Exact Mass600.29
IUPAC Name4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5ccc6cnc7c(C(C)(C)C)ccnc7c6c5c4)cc32)c1
InChIInChI=1S/C41H36N4O/c1-40(2,3)27-17-19-42-36(21-27)45-34-10-8-7-9-30(34)31-16-15-29(23-35(31)45)46-28-14-13-25-11-12-26-24-44-38-33(41(4,5)6)18-20-43-39(38)37(26)32(25)22-28/h7-24H,1-6H3
InChIKeyNRLQZOJZGRXYSL-UHFFFAOYSA-N
XLogP10.82
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
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
3-tert-butyl-31-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-21,35-diazaoctacyclo[18.15.0.02,7.08,13.014,19.021,34.022,27.028,33]pentatriaconta-1(20),2(7),3,5,8,10,12,14,16,18,22,24,26,28(33),29,31,34-heptadecaene
CID 168811556
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-2-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176782620
11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine
CID 163471213
2-[3-(benzimidazol-1-yl)-5-carbazol-9-ylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 148690456
2-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[2,6-di(propan-2-yl)phenyl]benzo[e]benzimidazole
CID 170904074
2-[3-[5-tert-butyl-3-(2-tert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651962
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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine?
The IUPAC name of 4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine (CID 155649959) is 4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine.
What is the SMILES notation for 4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine?
The canonical SMILES for 4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5ccc6cnc7c(C(C)(C)C)ccnc7c6c5c4)cc32)c1.
What is the InChIKey of 4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine?
The InChIKey is NRLQZOJZGRXYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N4O/c1-40(2,3)27-17-19-42-36(21-27)45-34-10-8-7-9-30(34)31-16-15-29(23-35(31)45)46-28-14-13-25-11-12-26-24-44-38-33(41(4,5)6)18-20-43-39(38)37(26)32(25)22-28/h7-24H,1-6H3.
What are the key properties of 4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine?
4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine has a molecular weight of 600.77 g/mol, XLogP of 10.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine is sourced from PubChem (CID 155649959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).