2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]

C65H38 — CID 140836704

IUPAC2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]
SMILESc1ccc2c(c1)-c1ccc(-c3c4ccccc4cc4ccccc34)cc1C21c2ccccc2-c2c1c1c3ccccc3c(-c3c4ccccc4cc4ccccc34)cc1c1ccccc21
InChIInChI=1S/C65H38/c1-5-21-44-39(17-1)35-40-18-2-6-22-45(40)60(44)43-33-34-51-50-27-13-15-31-57(50)65(59(51)37-43)58-32-16-14-30-54(58)62-52-28-11-10-26-49(52)56-38-55(48-25-9-12-29-53(48)63(56)64(62)65)61-46-23-7-3-19-41(46)36-42-20-4-8-24-47(42)61/h1-38H
InChIKeyUCBXWXUJACFAMB-UHFFFAOYSA-N
MW819.02 g/mol
LogP17.44
Rot. Bonds2

About 2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]

2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene] (PubChem CID 140836704) has the molecular formula C65H38 and a molecular weight of 819.02 g/mol. Its IUPAC name is 2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene].

Molecular Properties

Compound Name2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]
PubChem CID140836704
Molecular FormulaC65H38
Molecular Weight819.02 g/mol
Exact Mass818.30
IUPAC Name2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]
SMILESc1ccc2c(c1)-c1ccc(-c3c4ccccc4cc4ccccc34)cc1C21c2ccccc2-c2c1c1c3ccccc3c(-c3c4ccccc4cc4ccccc34)cc1c1ccccc21
InChIInChI=1S/C65H38/c1-5-21-44-39(17-1)35-40-18-2-6-22-45(40)60(44)43-33-34-51-50-27-13-15-31-57(50)65(59(51)37-43)58-32-16-14-30-54(58)62-52-28-11-10-26-49(52)56-38-55(48-25-9-12-29-53(48)63(56)64(62)65)61-46-23-7-3-19-41(46)36-42-20-4-8-24-47(42)61/h1-38H
InChIKeyUCBXWXUJACFAMB-UHFFFAOYSA-N
XLogP17.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 517.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene] with MolForge

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Related Compounds

2,19'-dinaphthalen-2-ylspiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]
CID 140836727
2,7-dinaphthalen-1-ylspiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]
CID 140836726
2-(1,4-dihydroanthracen-9-yl)-7-naphthalen-1-ylspiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]
CID 140836709
6-(10-naphthalen-2-ylanthracen-9-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034510
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485112
9-[4-[4-[9-[4-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[9,9-bis(4-anthracen-9-ylphenyl)-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene;methane
CID 159419556
7'-(10-phenanthren-9-ylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 90194777
2,2'-di(perylen-2-yl)-9,9'-spirobi[fluorene]
CID 91280575
22'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]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 140962518
2-naphthalen-1-ylspiro[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]
CID 140873354
14',21'-dinaphthalen-2-ylspiro[fluorene-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
CID 58175305
4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene
CID 156676922

Frequently Asked Questions

What is the IUPAC name of 2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]?
The IUPAC name of 2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene] (CID 140836704) is 2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene].
What is the SMILES notation for 2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]?
The canonical SMILES for 2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene] is c1ccc2c(c1)-c1ccc(-c3c4ccccc4cc4ccccc34)cc1C21c2ccccc2-c2c1c1c3ccccc3c(-c3c4ccccc4cc4ccccc34)cc1c1ccccc21.
What is the InChIKey of 2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]?
The InChIKey is UCBXWXUJACFAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38/c1-5-21-44-39(17-1)35-40-18-2-6-22-45(40)60(44)43-33-34-51-50-27-13-15-31-57(50)65(59(51)37-43)58-32-16-14-30-54(58)62-52-28-11-10-26-49(52)56-38-55(48-25-9-12-29-53(48)63(56)64(62)65)61-46-23-7-3-19-41(46)36-42-20-4-8-24-47(42)61/h1-38H.
What are the key properties of 2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]?
2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene] has a molecular weight of 819.02 g/mol, XLogP of 17.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,19'-di(anthracen-9-yl)spiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene] is sourced from PubChem (CID 140836704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).