9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]

C45H27N3O — CID 156560140

IUPAC9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4c(ccc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C45H27N3O/c1-2-14-28(15-3-1)43-44(47-36-22-10-9-21-35(36)46-43)48-37-23-11-5-17-30(37)42-38(48)27-26-34-41(42)29-16-4-6-18-31(29)45(34)32-19-7-12-24-39(32)49-40-25-13-8-20-33(40)45/h1-27H
InChIKeyQHXGQSNURIXQDP-UHFFFAOYSA-N
MW625.73 g/mol
LogP10.86
Rot. Bonds2

About 9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]

9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene] (PubChem CID 156560140) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene].

Molecular Properties

Compound Name9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]
PubChem CID156560140
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]
SMILESc1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4c(ccc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1
InChIInChI=1S/C45H27N3O/c1-2-14-28(15-3-1)43-44(47-36-22-10-9-21-35(36)46-43)48-37-23-11-5-17-30(37)42-38(48)27-26-34-41(42)29-16-4-6-18-31(29)45(34)32-19-7-12-24-39(32)49-40-25-13-8-20-33(40)45/h1-27H
InChIKeyQHXGQSNURIXQDP-UHFFFAOYSA-N
XLogP10.86
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene] with MolForge

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Related Compounds

5-(3-phenylquinoxalin-2-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288387
14,14-diphenyl-9-(3-phenylquinoxalin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14,14-triphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 161339156
14,14-diphenyl-9-(3-phenylquinoxalin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14,14-triphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5,14,14-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 163611403
5-(4-phenylquinazolin-2-yl)spiro[indeno[1,2-c]carbazole-12,9'-xanthene]
CID 129133162
CID 134551696
CID 134551696
9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14,14-diphenyl-9-(3-phenylquinoxalin-2-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159474774
7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-9',9'-dimethylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,10'-anthracene]
CID 163786674
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenylspiro[20-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene-9,9'-xanthene]
CID 164737389
10-phenyl-30-(3-phenylquinoxalin-2-yl)-10,30-diazaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2,4,6,8,11,13,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155429520
14-[4-(4-carbazol-9-ylphenyl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene];14-[4-(3,6-diphenylcarbazol-9-yl)phenyl]spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene-9,9'-fluorene]
CID 158277667
12-(4-phenylphenyl)spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 129133120

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]?
The IUPAC name of 9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene] (CID 156560140) is 9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene].
What is the SMILES notation for 9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]?
The canonical SMILES for 9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene] is c1ccc(-c2nc3ccccc3nc2-n2c3ccccc3c3c4c(ccc32)C2(c3ccccc3Oc3ccccc32)c2ccccc2-4)cc1.
What is the InChIKey of 9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]?
The InChIKey is QHXGQSNURIXQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-14-28(15-3-1)43-44(47-36-22-10-9-21-35(36)46-43)48-37-23-11-5-17-30(37)42-38(48)27-26-34-41(42)29-16-4-6-18-31(29)45(34)32-19-7-12-24-39(32)49-40-25-13-8-20-33(40)45/h1-27H.
What are the key properties of 9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene]?
9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene] has a molecular weight of 625.73 g/mol, XLogP of 10.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylquinoxalin-2-yl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-xanthene] is sourced from PubChem (CID 156560140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).