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]

C61H38 — CID 140836709

IUPAC2-(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]
SMILESC1=CCc2c(cc3ccccc3c2-c2ccc3c(c2)C2(c4cc(-c5cccc6ccccc56)ccc4-3)c3ccccc3-c3c2c2c4ccccc4ccc2c2ccccc32)C1
InChIInChI=1S/C61H38/c1-5-19-43-37(14-1)18-13-26-44(43)41-29-31-49-50-32-30-42(57-46-21-7-3-16-39(46)34-40-17-4-8-22-47(40)57)36-56(50)61(55(49)35-41)54-27-12-11-25-53(54)59-51-24-10-9-23-48(51)52-33-28-38-15-2-6-20-45(38)58(52)60(59)61/h1-16,18-21,23-36H,17,22H2
InChIKeyGZMRBLOCPREYTQ-UHFFFAOYSA-N
MW770.98 g/mol
LogP15.78
Rot. Bonds2

About 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]

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] (PubChem CID 140836709) has the molecular formula C61H38 and a molecular weight of 770.98 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name2-(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]
PubChem CID140836709
Molecular FormulaC61H38
Molecular Weight770.98 g/mol
Exact Mass770.30
IUPAC Name2-(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]
SMILESC1=CCc2c(cc3ccccc3c2-c2ccc3c(c2)C2(c4cc(-c5cccc6ccccc56)ccc4-3)c3ccccc3-c3c2c2c4ccccc4ccc2c2ccccc32)C1
InChIInChI=1S/C61H38/c1-5-19-43-37(14-1)18-13-26-44(43)41-29-31-49-50-32-30-42(57-46-21-7-3-16-39(46)34-40-17-4-8-22-47(40)57)36-56(50)61(55(49)35-41)54-27-12-11-25-53(54)59-51-24-10-9-23-48(51)52-33-28-38-15-2-6-20-45(38)58(52)60(59)61/h1-16,18-21,23-36H,17,22H2
InChIKeyGZMRBLOCPREYTQ-UHFFFAOYSA-N
XLogP15.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.98
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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] with MolForge

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Related Compounds

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
2,19'-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
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
9-[7-(4,6-diphenyl-1,3,5-triazin-2-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-yl]carbazole
CID 134167921
17'-benzo[c]phenanthren-5-ylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
CID 140962833
7-[4-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 58569114
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
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485112
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
4-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]benzo[a]anthracene
CID 156676922
7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]
CID 140962324
5'-[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(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962763

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is C1=CCc2c(cc3ccccc3c2-c2ccc3c(c2)C2(c4cc(-c5cccc6ccccc56)ccc4-3)c3ccccc3-c3c2c2c4ccccc4ccc2c2ccccc32)C1.
What is the InChIKey of 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]?
The InChIKey is GZMRBLOCPREYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38/c1-5-19-43-37(14-1)18-13-26-44(43)41-29-31-49-50-32-30-42(57-46-21-7-3-16-39(46)34-40-17-4-8-22-47(40)57)36-56(50)61(55(49)35-41)54-27-12-11-25-53(54)59-51-24-10-9-23-48(51)52-33-28-38-15-2-6-20-45(38)58(52)60(59)61/h1-16,18-21,23-36H,17,22H2.
What are the key properties of 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]?
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] has a molecular weight of 770.98 g/mol, XLogP of 15.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 140836709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).