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]

C201H118 — CID 161256334

IUPAC7'-(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]
SMILESCc1cc2c3c(c(C)cc(-c4ccc5cc6c(c(-c7ccccc7)c5c4)-c4cccc5c7c(cc-6c45)C4(c5ccccc5-c5ccccc54)c4ccccc4-7)c3c1)-c1ccccc1-2.c1ccc(-c2c(-c3ccc4cc5c(c(-c6ccccc6)c4c3)-c3cccc4c6c(cc-5c34)C3(c4ccccc4-c4ccccc43)c3ccccc3-6)ccc3ccccc23)cc1.c1ccc(-c2c3c(cc4ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccccc6)c6ccccc6c5-c5ccccc5)cc24)-c2cc4c(c5cccc-3c25)-c2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C77H44.C63H38.C61H36/c1-4-20-45(21-5-1)68-54-28-10-11-29-55(54)69(46-22-6-2-7-23-46)76-60-41-40-50(53-31-18-34-59(71(53)60)75(68)76)48-38-39-49-43-62-63-44-67-73(57-32-19-33-58(72(57)63)74(62)70(61(49)42-48)47-24-8-3-9-25-47)56-30-14-17-37-66(56)77(67)64-35-15-12-26-51(64)52-27-13-16-36-65(52)77;1-35-29-49-40-17-6-7-20-43(40)57-36(2)31-47(50(30-35)62(49)57)38-27-28-39-33-51-52-34-56-60(45-22-14-23-46(59(45)52)61(51)58(48(39)32-38)37-15-4-3-5-16-37)44-21-10-13-26-55(44)63(56)53-24-11-8-18-41(53)42-19-9-12-25-54(42)63;1-3-17-38(18-4-1)56-42-21-8-7-16-37(42)32-33-43(56)40-30-31-41-35-50-51-36-55-59(47-25-15-26-48(58(47)51)60(50)57(49(41)34-40)39-19-5-2-6-20-39)46-24-11-14-29-54(46)61(55)52-27-12-9-22-44(52)45-23-10-13-28-53(45)61/h1-44H;3-34H,1-2H3;1-36H
InChIKeyVBYSIJQMXMMPQE-UHFFFAOYSA-N
MW2533.15 g/mol
LogP53.48
Rot. Bonds9

About 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]

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] (PubChem CID 161256334) has the molecular formula C201H118 and a molecular weight of 2533.15 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name7'-(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]
PubChem CID161256334
Molecular FormulaC201H118
Molecular Weight2533.15 g/mol
Exact Mass2530.92
IUPAC Name7'-(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]
SMILESCc1cc2c3c(c(C)cc(-c4ccc5cc6c(c(-c7ccccc7)c5c4)-c4cccc5c7c(cc-6c45)C4(c5ccccc5-c5ccccc54)c4ccccc4-7)c3c1)-c1ccccc1-2.c1ccc(-c2c(-c3ccc4cc5c(c(-c6ccccc6)c4c3)-c3cccc4c6c(cc-5c34)C3(c4ccccc4-c4ccccc43)c3ccccc3-6)ccc3ccccc23)cc1.c1ccc(-c2c3c(cc4ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccccc6)c6ccccc6c5-c5ccccc5)cc24)-c2cc4c(c5cccc-3c25)-c2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C77H44.C63H38.C61H36/c1-4-20-45(21-5-1)68-54-28-10-11-29-55(54)69(46-22-6-2-7-23-46)76-60-41-40-50(53-31-18-34-59(71(53)60)75(68)76)48-38-39-49-43-62-63-44-67-73(57-32-19-33-58(72(57)63)74(62)70(61(49)42-48)47-24-8-3-9-25-47)56-30-14-17-37-66(56)77(67)64-35-15-12-26-51(64)52-27-13-16-36-65(52)77;1-35-29-49-40-17-6-7-20-43(40)57-36(2)31-47(50(30-35)62(49)57)38-27-28-39-33-51-52-34-56-60(45-22-14-23-46(59(45)52)61(51)58(48(39)32-38)37-15-4-3-5-16-37)44-21-10-13-26-55(44)63(56)53-24-11-8-18-41(53)42-19-9-12-25-54(42)63;1-3-17-38(18-4-1)56-42-21-8-7-16-37(42)32-33-43(56)40-30-31-41-35-50-51-36-55-59(47-25-15-26-48(58(47)51)60(50)57(49(41)34-40)39-19-5-2-6-20-39)46-24-11-14-29-54(46)61(55)52-27-12-9-22-44(52)45-23-10-13-28-53(45)61/h1-44H;3-34H,1-2H3;1-36H
InChIKeyVBYSIJQMXMMPQE-UHFFFAOYSA-N
XLogP53.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms201
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002533.15
LogP ≤ 553.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is Cc1cc2c3c(c(C)cc(-c4ccc5cc6c(c(-c7ccccc7)c5c4)-c4cccc5c7c(cc-6c45)C4(c5ccccc5-c5ccccc54)c4ccccc4-7)c3c1)-c1ccccc1-2.c1ccc(-c2c(-c3ccc4cc5c(c(-c6ccccc6)c4c3)-c3cccc4c6c(cc-5c34)C3(c4ccccc4-c4ccccc43)c3ccccc3-6)ccc3ccccc23)cc1.c1ccc(-c2c3c(cc4ccc(-c5ccc6c7c(cccc57)-c5c-6c(-c6ccccc6)c6ccccc6c5-c5ccccc5)cc24)-c2cc4c(c5cccc-3c25)-c2ccccc2C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 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]?
The InChIKey is VBYSIJQMXMMPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H44.C63H38.C61H36/c1-4-20-45(21-5-1)68-54-28-10-11-29-55(54)69(46-22-6-2-7-23-46)76-60-41-40-50(53-31-18-34-59(71(53)60)75(68)76)48-38-39-49-43-62-63-44-67-73(57-32-19-33-58(72(57)63)74(62)70(61(49)42-48)47-24-8-3-9-25-47)56-30-14-17-37-66(56)77(67)64-35-15-12-26-51(64)52-27-13-16-36-65(52)77;1-35-29-49-40-17-6-7-20-43(40)57-36(2)31-47(50(30-35)62(49)57)38-27-28-39-33-51-52-34-56-60(45-22-14-23-46(59(45)52)61(51)58(48(39)32-38)37-15-4-3-5-16-37)44-21-10-13-26-55(44)63(56)53-24-11-8-18-41(53)42-19-9-12-25-54(42)63;1-3-17-38(18-4-1)56-42-21-8-7-16-37(42)32-33-43(56)40-30-31-41-35-50-51-36-55-59(47-25-15-26-48(58(47)51)60(50)57(49(41)34-40)39-19-5-2-6-20-39)46-24-11-14-29-54(46)61(55)52-27-12-9-22-44(52)45-23-10-13-28-53(45)61/h1-44H;3-34H,1-2H3;1-36H.
What are the key properties of 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]?
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] has a molecular weight of 2533.15 g/mol, XLogP of 53.48, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 161256334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).