2-(2-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]-9'-ylphenyl)-1,10-phenanthroline

C51H30N2 — CID 137494871

IUPAC2-(2-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]-9'-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2cc3c(c4ccccc24)-c2cc4ccccc4cc2C32c3ccccc3-c3ccccc32)c(-c2ccc3ccc4cccnc4c3n2)c1
InChIInChI=1S/C51H30N2/c1-2-13-34-29-45-42(28-33(34)12-1)48-40-20-6-4-16-36(40)41(30-46(48)51(45)43-21-9-7-17-37(43)38-18-8-10-22-44(38)51)35-15-3-5-19-39(35)47-26-25-32-24-23-31-14-11-27-52-49(31)50(32)53-47/h1-30H
InChIKeyFAIPJMCSRPNXBG-UHFFFAOYSA-N
MW670.82 g/mol
LogP12.77
Rot. Bonds2

About 2-(2-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]-9'-ylphenyl)-1,10-phenanthroline

2-(2-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]-9'-ylphenyl)-1,10-phenanthroline (PubChem CID 137494871) has the molecular formula C51H30N2 and a molecular weight of 670.82 g/mol. Its IUPAC name is 2-(2-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]-9'-ylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2-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]-9'-ylphenyl)-1,10-phenanthroline
PubChem CID137494871
Molecular FormulaC51H30N2
Molecular Weight670.82 g/mol
Exact Mass670.24
IUPAC Name2-(2-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]-9'-ylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2cc3c(c4ccccc24)-c2cc4ccccc4cc2C32c3ccccc3-c3ccccc32)c(-c2ccc3ccc4cccnc4c3n2)c1
InChIInChI=1S/C51H30N2/c1-2-13-34-29-45-42(28-33(34)12-1)48-40-20-6-4-16-36(40)41(30-46(48)51(45)43-21-9-7-17-37(43)38-18-8-10-22-44(38)51)35-15-3-5-19-39(35)47-26-25-32-24-23-31-14-11-27-52-49(31)50(32)53-47/h1-30H
InChIKeyFAIPJMCSRPNXBG-UHFFFAOYSA-N
XLogP12.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.82
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-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]-9'-ylphenyl)-1,10-phenanthroline with MolForge

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Related Compounds

2-(2-anthracen-9-yl-9,9-diphenylfluoren-3-yl)-1,10-phenanthroline
CID 142453502
2,4-diphenyl-6-(3-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]-22'-ylphenyl)pyrimidine;2,4-diphenyl-6-(3-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]-22'-ylphenyl)-1,3,5-triazine;2-(2-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]-22'-ylphenyl)-1,10-phenanthroline;2-(3-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]-22'-ylphenyl)-1,10-phenanthroline
CID 161237565
2-[2'-(1,9-phenanthrolin-8-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline
CID 58789519
9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]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 140962359
2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)-1,10-phenanthroline
CID 159902909
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
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
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
7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962634
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
2'-(1,10-phenanthrolin-5-yl)spiro[2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-fluorene]
CID 121308429
2'-(1,10-phenanthrolin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 90246647

Frequently Asked Questions

What is the IUPAC name of 2-(2-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]-9'-ylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-(2-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]-9'-ylphenyl)-1,10-phenanthroline (CID 137494871) is 2-(2-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]-9'-ylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(2-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]-9'-ylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-(2-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]-9'-ylphenyl)-1,10-phenanthroline is c1ccc(-c2cc3c(c4ccccc24)-c2cc4ccccc4cc2C32c3ccccc3-c3ccccc32)c(-c2ccc3ccc4cccnc4c3n2)c1.
What is the InChIKey of 2-(2-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]-9'-ylphenyl)-1,10-phenanthroline?
The InChIKey is FAIPJMCSRPNXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2/c1-2-13-34-29-45-42(28-33(34)12-1)48-40-20-6-4-16-36(40)41(30-46(48)51(45)43-21-9-7-17-37(43)38-18-8-10-22-44(38)51)35-15-3-5-19-39(35)47-26-25-32-24-23-31-14-11-27-52-49(31)50(32)53-47/h1-30H.
What are the key properties of 2-(2-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]-9'-ylphenyl)-1,10-phenanthroline?
2-(2-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]-9'-ylphenyl)-1,10-phenanthroline has a molecular weight of 670.82 g/mol, XLogP of 12.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-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]-9'-ylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 137494871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).