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]

C47H30 — CID 123869448

IUPAC7'-(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]
SMILESCc1cccc(C)c1-c1ccc2cc3c(cc2c1)-c1cccc2c4c(cc-3c12)C1(c2ccccc2-c2ccccc21)c1ccccc1-4
InChIInChI=1S/C47H30/c1-27-11-9-12-28(2)44(27)30-22-21-29-24-38-37(25-31(29)23-30)34-16-10-17-36-45(34)39(38)26-43-46(36)35-15-5-8-20-42(35)47(43)40-18-6-3-13-32(40)33-14-4-7-19-41(33)47/h3-26H,1-2H3
InChIKeyUJTURNVJVJGCNP-UHFFFAOYSA-N
MW594.76 g/mol
LogP12.27
Rot. Bonds1

About 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]

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] (PubChem CID 123869448) has the molecular formula C47H30 and a molecular weight of 594.76 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name7'-(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]
PubChem CID123869448
Molecular FormulaC47H30
Molecular Weight594.76 g/mol
Exact Mass594.23
IUPAC Name7'-(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]
SMILESCc1cccc(C)c1-c1ccc2cc3c(cc2c1)-c1cccc2c4c(cc-3c12)C1(c2ccccc2-c2ccccc21)c1ccccc1-4
InChIInChI=1S/C47H30/c1-27-11-9-12-28(2)44(27)30-22-21-29-24-38-37(25-31(29)23-30)34-16-10-17-36-45(34)39(38)26-43-46(36)35-15-5-8-20-42(35)47(43)40-18-6-3-13-32(40)33-14-4-7-19-41(33)47/h3-26H,1-2H3
InChIKeyUJTURNVJVJGCNP-UHFFFAOYSA-N
XLogP12.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.76
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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] with MolForge

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Related Compounds

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
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
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
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
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
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
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine
CID 58233397
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
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
N-phenyl-N-(4-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]-2-amine
CID 126712785
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is Cc1cccc(C)c1-c1ccc2cc3c(cc2c1)-c1cccc2c4c(cc-3c12)C1(c2ccccc2-c2ccccc21)c1ccccc1-4.
What is the InChIKey of 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]?
The InChIKey is UJTURNVJVJGCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30/c1-27-11-9-12-28(2)44(27)30-22-21-29-24-38-37(25-31(29)23-30)34-16-10-17-36-45(34)39(38)26-43-46(36)35-15-5-8-20-42(35)47(43)40-18-6-3-13-32(40)33-14-4-7-19-41(33)47/h3-26H,1-2H3.
What are the key properties of 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]?
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] has a molecular weight of 594.76 g/mol, XLogP of 12.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 123869448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).