14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]

C61H38 — CID 144661901

IUPAC14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
SMILESC=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1cc3c(-c4ccc5cc6ccccc6cc5c4)c4ccccc4c(-c4ccc5cc6ccccc6cc5c4)c3cc12
InChIInChI=1S/C61H38/c1-3-47-48-19-11-13-23-56(48)61(55(47)4-2)57-24-14-12-20-49(57)52-35-53-54(36-58(52)61)60(44-28-26-42-30-38-16-6-8-18-40(38)32-46(42)34-44)51-22-10-9-21-50(51)59(53)43-27-25-41-29-37-15-5-7-17-39(37)31-45(41)33-43/h3-36H,1-2H2
InChIKeyXHXRBJBBJQMERC-UHFFFAOYSA-N
MW770.98 g/mol
LogP16.39
Rot. Bonds4

About 14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]

14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene] (PubChem CID 144661901) has the molecular formula C61H38 and a molecular weight of 770.98 g/mol. Its IUPAC name is 14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene].

Molecular Properties

Compound Name14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
PubChem CID144661901
Molecular FormulaC61H38
Molecular Weight770.98 g/mol
Exact Mass770.30
IUPAC Name14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]
SMILESC=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1cc3c(-c4ccc5cc6ccccc6cc5c4)c4ccccc4c(-c4ccc5cc6ccccc6cc5c4)c3cc12
InChIInChI=1S/C61H38/c1-3-47-48-19-11-13-23-56(48)61(55(47)4-2)57-24-14-12-20-49(57)52-35-53-54(36-58(52)61)60(44-28-26-42-30-38-16-6-8-18-40(38)32-46(42)34-44)51-22-10-9-21-50(51)59(53)43-27-25-41-29-37-15-5-7-17-39(37)31-45(41)33-43/h3-36H,1-2H2
InChIKeyXHXRBJBBJQMERC-UHFFFAOYSA-N
XLogP16.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.98
LogP ≤ 516.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene] with MolForge

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Related Compounds

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
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
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
2',3'-bis(ethenyl)-6'-phenylspiro[fluorene-9,1'-indene]
CID 142340746
17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 140961837
2-(10-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]-7'-ylanthracen-9-yl)dibenzofuran
CID 137493892
14',21'-bis(3,5-diphenylphenyl)spiro[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 58175351
9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962359
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733
10,10-dimethyl-7,14,21-trinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 58175364
2',3'-bis(ethenyl)-2-(4-methylphenyl)spiro[fluorene-9,1'-indene];methane
CID 143486387
6-(10-naphthalen-2-ylanthracen-9-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034510

Frequently Asked Questions

What is the IUPAC name of 14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]?
The IUPAC name of 14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene] (CID 144661901) is 14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene].
What is the SMILES notation for 14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]?
The canonical SMILES for 14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene] is C=CC1=C(C=C)C2(c3ccccc31)c1ccccc1-c1cc3c(-c4ccc5cc6ccccc6cc5c4)c4ccccc4c(-c4ccc5cc6ccccc6cc5c4)c3cc12.
What is the InChIKey of 14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]?
The InChIKey is XHXRBJBBJQMERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38/c1-3-47-48-19-11-13-23-56(48)61(55(47)4-2)57-24-14-12-20-49(57)52-35-53-54(36-58(52)61)60(44-28-26-42-30-38-16-6-8-18-40(38)32-46(42)34-44)51-22-10-9-21-50(51)59(53)43-27-25-41-29-37-15-5-7-17-39(37)31-45(41)33-43/h3-36H,1-2H2.
What are the key properties of 14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene]?
14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene] has a molecular weight of 770.98 g/mol, XLogP of 16.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14',21'-di(anthracen-2-yl)-2,3-bis(ethenyl)spiro[indene-1,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene] is sourced from PubChem (CID 144661901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).