11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine

C50H40N4O — CID 163471213

IUPAC11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine
SMILESCc1ccccc1-c1nc2c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)ccc3c3ccccc3n2c1-c1ccccc1C
InChIInChI=1S/C50H40N4O/c1-31-14-6-8-16-36(31)47-48(37-17-9-7-15-32(37)2)54-44-21-13-10-18-39(44)38-24-22-34(29-42(38)49(54)52-47)55-35-23-25-41-40-19-11-12-20-43(40)53(45(41)30-35)46-28-33(26-27-51-46)50(3,4)5/h6-30H,1-5H3
InChIKeyYQXCLICILRXMHE-UHFFFAOYSA-N
MW712.90 g/mol
LogP13.17
Rot. Bonds5

About 11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine

11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine (PubChem CID 163471213) has the molecular formula C50H40N4O and a molecular weight of 712.90 g/mol. Its IUPAC name is 11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine
PubChem CID163471213
Molecular FormulaC50H40N4O
Molecular Weight712.90 g/mol
Exact Mass712.32
IUPAC Name11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine
SMILESCc1ccccc1-c1nc2c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)ccc3c3ccccc3n2c1-c1ccccc1C
InChIInChI=1S/C50H40N4O/c1-31-14-6-8-16-36(31)47-48(37-17-9-7-15-32(37)2)54-44-21-13-10-18-39(44)38-24-22-34(29-42(38)49(54)52-47)55-35-23-25-41-40-19-11-12-20-43(40)53(45(41)30-35)46-28-33(26-27-51-46)50(3,4)5/h6-30H,1-5H3
InChIKeyYQXCLICILRXMHE-UHFFFAOYSA-N
XLogP13.17
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.90
LogP ≤ 513.17
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

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
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
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
3-(2-methylphenyl)-11-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411411
3-tert-butyl-5-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289194
6-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-11-methyltetrazolo[1,5-f]phenanthridine
CID 153411451
4-tert-butyl-11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxynaphtho[2,1-c][1,5]naphthyridine
CID 155649959
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
5-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(2,6-diphenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169289295
2-[3-(benzimidazol-1-yl)-5-carbazol-9-ylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 148690456
7-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-5-methylbenzo[d][1,3]benzodiazepin-5-ium
CID 170930544
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-methylimidazol-3-ium-1-yl)phenoxy]carbazole
CID 154483088

Frequently Asked Questions

What is the IUPAC name of 11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine?
The IUPAC name of 11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine (CID 163471213) is 11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine.
What is the SMILES notation for 11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine?
The canonical SMILES for 11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine is Cc1ccccc1-c1nc2c3cc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)ccc3c3ccccc3n2c1-c1ccccc1C.
What is the InChIKey of 11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine?
The InChIKey is YQXCLICILRXMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N4O/c1-31-14-6-8-16-36(31)47-48(37-17-9-7-15-32(37)2)54-44-21-13-10-18-39(44)38-24-22-34(29-42(38)49(54)52-47)55-35-23-25-41-40-19-11-12-20-43(40)53(45(41)30-35)46-28-33(26-27-51-46)50(3,4)5/h6-30H,1-5H3.
What are the key properties of 11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine?
11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine has a molecular weight of 712.90 g/mol, XLogP of 13.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine is sourced from PubChem (CID 163471213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).