2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole

C51H30N2O2 — CID 121297691

IUPAC2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole
SMILESc1cc(-c2ncco2)cc(-c2cc3c(c4ccccc24)-c2c(cc(-c4cccc(-c5ncco5)c4)c4ccccc24)C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C51H30N2O2/c1-3-19-39-35(15-1)41(31-11-9-13-33(27-31)49-52-23-25-54-49)29-45-47(39)48-40-20-4-2-16-36(40)42(32-12-10-14-34(28-32)50-53-24-26-55-50)30-46(48)51(45)43-21-7-5-17-37(43)38-18-6-8-22-44(38)51/h1-30H
InChIKeyOOKBJDKRKVZFHB-UHFFFAOYSA-N
MW702.81 g/mol
LogP12.98
Rot. Bonds4

About 2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole

2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole (PubChem CID 121297691) has the molecular formula C51H30N2O2 and a molecular weight of 702.81 g/mol. Its IUPAC name is 2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole
PubChem CID121297691
Molecular FormulaC51H30N2O2
Molecular Weight702.81 g/mol
Exact Mass702.23
IUPAC Name2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole
SMILESc1cc(-c2ncco2)cc(-c2cc3c(c4ccccc24)-c2c(cc(-c4cccc(-c5ncco5)c4)c4ccccc24)C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C51H30N2O2/c1-3-19-39-35(15-1)41(31-11-9-13-33(27-31)49-52-23-25-54-49)29-45-47(39)48-40-20-4-2-16-36(40)42(32-12-10-14-34(28-32)50-53-24-26-55-50)30-46(48)51(45)43-21-7-5-17-37(43)38-18-6-8-22-44(38)51/h1-30H
InChIKeyOOKBJDKRKVZFHB-UHFFFAOYSA-N
XLogP12.98
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.81
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole with MolForge

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Related Compounds

9'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140961818
4-isocyano-2-[3-(9-phenylspiro[benzo[c]fluorene-7,9'-fluorene]-5-yl)phenyl]pyridine
CID 140769404
9'-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962964
22'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962463
4-[15'-(2-isocyano-4-pyridinyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]pyridine-2-carbonitrile
CID 140769244
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
4-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylphenyl)pyridine-2-carbonitrile
CID 118397566
9'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962412
2-[6-[7,7-dimethyl-9-[6-(1,3-oxazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7,7-dimethyl-9-[6-(1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-1,3-thiazole;2-[6-[7,7-diphenyl-9-[6-(1,3-thiazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-1,3-thiazole;2-[6-[9-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7'-[6-(1,3-oxazol-2-yl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7'-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-1,3-thiazole
CID 158883058
2-[3-[12,12-diphenyl-15-[3-(1,3-thiazol-2-yl)phenyl]-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]phenyl]-1,3-thiazole
CID 121297681
9'-(3-fluoranthen-3-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140962679
5-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033168

Frequently Asked Questions

What is the IUPAC name of 2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole (CID 121297691) is 2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole is c1cc(-c2ncco2)cc(-c2cc3c(c4ccccc24)-c2c(cc(-c4cccc(-c5ncco5)c4)c4ccccc24)C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole?
The InChIKey is OOKBJDKRKVZFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2O2/c1-3-19-39-35(15-1)41(31-11-9-13-33(27-31)49-52-23-25-54-49)29-45-47(39)48-40-20-4-2-16-36(40)42(32-12-10-14-34(28-32)50-53-24-26-55-50)30-46(48)51(45)43-21-7-5-17-37(43)38-18-6-8-22-44(38)51/h1-30H.
What are the key properties of 2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole?
2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole has a molecular weight of 702.81 g/mol, XLogP of 12.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[15'-[3-(1,3-oxazol-2-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 121297691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).