17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]

C49H28 — CID 58390382

IUPAC17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc1c3c(cccc23)-c2c(-c3ccc4ccc5ccccc5c4c3)cccc2-1
InChIInChI=1S/C49H28/c1-2-12-32-29(11-1)23-24-30-25-26-31(27-40(30)32)33-16-9-17-36-41-28-45-48(39-19-10-18-38(46(33)36)47(39)41)37-15-5-8-22-44(37)49(45)42-20-6-3-13-34(42)35-14-4-7-21-43(35)49/h1-28H
InChIKeyCHMCTCGEDFHHMV-UHFFFAOYSA-N
MW616.76 g/mol
LogP12.80
Rot. Bonds1

About 17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]

17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] (PubChem CID 58390382) has the molecular formula C49H28 and a molecular weight of 616.76 g/mol. Its IUPAC name is 17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene].

Molecular Properties

Compound Name17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
PubChem CID58390382
Molecular FormulaC49H28
Molecular Weight616.76 g/mol
Exact Mass616.22
IUPAC Name17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc1c3c(cccc23)-c2c(-c3ccc4ccc5ccccc5c4c3)cccc2-1
InChIInChI=1S/C49H28/c1-2-12-32-29(11-1)23-24-30-25-26-31(27-40(30)32)33-16-9-17-36-41-28-45-48(39-19-10-18-38(46(33)36)47(39)41)37-15-5-8-22-44(37)49(45)42-20-6-3-13-34(42)35-14-4-7-21-43(35)49/h1-28H
InChIKeyCHMCTCGEDFHHMV-UHFFFAOYSA-N
XLogP12.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] with MolForge

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Related Compounds

16'-phenanthren-1-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaene]
CID 58390390
16'-phenanthren-2-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaene]
CID 58390378
spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 58390351
7'-(2-phenylnaphthalen-1-yl)spiro[fluorene-9,24'-heptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2(11),3,5,7,9,12,14,16(27),17(25),18,20,22-tridecaene]
CID 123549000
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine
CID 134528161
7'-(2,6-dimethylphenyl)spiro[fluorene-9,24'-heptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2(11),3,5,7,9,12,14,16(27),17(25),18,20,22-tridecaene]
CID 123869448
7'-(1,5-dimethylfluoranthen-3-yl)-10'-phenylspiro[fluorene-9,24'-heptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2(11),3,5,7,9,12,14,16(27),17(25),18,20,22-tridecaene];7'-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-10'-phenylspiro[fluorene-9,24'-heptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2(11),3,5,7,9,12,14,16(27),17(25),18,20,22-tridecaene];10'-phenyl-7'-(1-phenylnaphthalen-2-yl)spiro[fluorene-9,24'-heptacyclo[14.10.1.02,11.04,9.012,27.017,25.018,23]heptacosa-1(26),2(11),3,5,7,9,12,14,16(27),17(25),18,20,22-tridecaene]
CID 161256334
2-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene];2-(3,5-diphenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene];2-naphthalen-1-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene];2-(3-phenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene];2-(3-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 158693788
2'-benzo[a]anthracen-8-yl-7'-benzo[a]anthracen-11-yl-9,9'-spirobi[fluorene]
CID 123728298
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
2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yldibenzothiophene
CID 126712871

Frequently Asked Questions

What is the IUPAC name of 17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
The IUPAC name of 17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] (CID 58390382) is 17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene].
What is the SMILES notation for 17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
The canonical SMILES for 17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc1c3c(cccc23)-c2c(-c3ccc4ccc5ccccc5c4c3)cccc2-1.
What is the InChIKey of 17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
The InChIKey is CHMCTCGEDFHHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28/c1-2-12-32-29(11-1)23-24-30-25-26-31(27-40(30)32)33-16-9-17-36-41-28-45-48(39-19-10-18-38(46(33)36)47(39)41)37-15-5-8-22-44(37)49(45)42-20-6-3-13-34(42)35-14-4-7-21-43(35)49/h1-28H.
What are the key properties of 17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]?
17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] has a molecular weight of 616.76 g/mol, XLogP of 12.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene] is sourced from PubChem (CID 58390382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).