2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine

C46H28N2 — CID 137493491

IUPAC2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4ccc(-c5cn6ccccc6n5)cc4)ccc3c21
InChIInChI=1S/C46H28N2/c1-2-10-34-30(9-1)22-25-41-44(34)38-24-21-33-27-32(29-16-18-31(19-17-29)42-28-48-26-8-7-15-43(48)47-42)20-23-35(33)45(38)46(41)39-13-5-3-11-36(39)37-12-4-6-14-40(37)46/h1-28H
InChIKeyUMQKIUHDNRXYAW-UHFFFAOYSA-N
MW608.74 g/mol
LogP11.32
Rot. Bonds2

About 2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine

2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine (PubChem CID 137493491) has the molecular formula C46H28N2 and a molecular weight of 608.74 g/mol. Its IUPAC name is 2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine
PubChem CID137493491
Molecular FormulaC46H28N2
Molecular Weight608.74 g/mol
Exact Mass608.23
IUPAC Name2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4ccc(-c5cn6ccccc6n5)cc4)ccc3c21
InChIInChI=1S/C46H28N2/c1-2-10-34-30(9-1)22-25-41-44(34)38-24-21-33-27-32(29-16-18-31(19-17-29)42-28-48-26-8-7-15-43(48)47-42)20-23-35(33)45(38)46(41)39-13-5-3-11-36(39)37-12-4-6-14-40(37)46/h1-28H
InChIKeyUMQKIUHDNRXYAW-UHFFFAOYSA-N
XLogP11.32
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.74
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine
CID 137494809
2,4-diphenyl-6-[4-[6'-[3-(6-phenyl-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14(19),15,17,20-decaene]-17'-yl]phenyl]pyrimidine
CID 137493411
17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
CID 140962833
1-methyl-2-phenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylbenzimidazole
CID 137493499
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
9-phenyl-3-[10-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)anthracen-9-yl]carbazole
CID 137493933
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole
CID 137493557
4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrimidine
CID 137494228
20'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]
CID 140962829
2,4-diphenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)pyrimidine;2,4-diphenyl-6-(4-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylphenyl)-1,3,5-triazine;4,6-diphenyl-2-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]-20'-yl-1,3,5-triazine
CID 160696257
17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
CID 159699555
2,4-bis(3-phenylphenyl)-6-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134574249

Frequently Asked Questions

What is the IUPAC name of 2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine (CID 137493491) is 2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine is c1ccc2c(c1)-c1ccccc1C21c2ccc3ccccc3c2-c2ccc3cc(-c4ccc(-c5cn6ccccc6n5)cc4)ccc3c21.
What is the InChIKey of 2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is UMQKIUHDNRXYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2/c1-2-10-34-30(9-1)22-25-41-44(34)38-24-21-33-27-32(29-16-18-31(19-17-29)42-28-48-26-8-7-15-43(48)47-42)20-23-35(33)45(38)46(41)39-13-5-3-11-36(39)37-12-4-6-14-40(37)46/h1-28H.
What are the key properties of 2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine?
2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 608.74 g/mol, XLogP of 11.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 137493491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).