20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene]

C63H42 — CID 145353482

IUPAC20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene]
SMILESC=Cc1c2c(c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3c1C=C)C1(c3ccccc3-c3ccccc31)c1ccc3c(c1-2)C=CCC3
InChIInChI=1S/C63H42/c1-3-44-45(4-2)61-60-46-21-9-8-18-40(46)35-37-57(60)63(55-28-16-14-22-47(55)48-23-15-17-29-56(48)63)62(61)53-36-34-43(38-54(44)53)39-30-32-42(33-31-39)59-51-26-12-10-24-49(51)58(41-19-6-5-7-20-41)50-25-11-13-27-52(50)59/h3-7,9-17,19-38H,1-2,8,18H2
InChIKeyVDCMEFSDKXJVAA-UHFFFAOYSA-N
MW799.03 g/mol
LogP16.74
Rot. Bonds5

About 20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene]

20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene] (PubChem CID 145353482) has the molecular formula C63H42 and a molecular weight of 799.03 g/mol. Its IUPAC name is 20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene].

Molecular Properties

Compound Name20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene]
PubChem CID145353482
Molecular FormulaC63H42
Molecular Weight799.03 g/mol
Exact Mass798.33
IUPAC Name20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene]
SMILESC=Cc1c2c(c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3c1C=C)C1(c3ccccc3-c3ccccc31)c1ccc3c(c1-2)C=CCC3
InChIInChI=1S/C63H42/c1-3-44-45(4-2)61-60-46-21-9-8-18-40(46)35-37-57(60)63(55-28-16-14-22-47(55)48-23-15-17-29-56(48)63)62(61)53-36-34-43(38-54(44)53)39-30-32-42(33-31-39)59-51-26-12-10-24-49(51)58(41-19-6-5-7-20-41)50-25-11-13-27-52(50)59/h3-7,9-17,19-38H,1-2,8,18H2
InChIKeyVDCMEFSDKXJVAA-UHFFFAOYSA-N
XLogP16.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.03
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene] with MolForge

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Related Compounds

8-[3-(10-phenylanthracen-9-yl)phenyl]-4,11-dihydro-3H-benzo[a]carbazole
CID 144703463
22'-[4-(10-phenylanthracen-9-yl)phenyl]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 140962463
2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene
CID 59766384
5'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962676
9-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-2,10-diphenylanthracene
CID 168993984
5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]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 140961770
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
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
butane;5',18'-diphenylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene];ethane
CID 144772701
5'-[10-(4-phenylnaphthalen-1-yl)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 140962677
N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline
CID 138568437

Frequently Asked Questions

What is the IUPAC name of 20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene]?
The IUPAC name of 20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene] (CID 145353482) is 20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene].
What is the SMILES notation for 20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene]?
The canonical SMILES for 20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene] is C=Cc1c2c(c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3c1C=C)C1(c3ccccc3-c3ccccc31)c1ccc3c(c1-2)C=CCC3.
What is the InChIKey of 20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene]?
The InChIKey is VDCMEFSDKXJVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42/c1-3-44-45(4-2)61-60-46-21-9-8-18-40(46)35-37-57(60)63(55-28-16-14-22-47(55)48-23-15-17-29-56(48)63)62(61)53-36-34-43(38-54(44)53)39-30-32-42(33-31-39)59-51-26-12-10-24-49(51)58(41-19-6-5-7-20-41)50-25-11-13-27-52(50)59/h3-7,9-17,19-38H,1-2,8,18H2.
What are the key properties of 20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene]?
20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene] has a molecular weight of 799.03 g/mol, XLogP of 16.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 20',21'-bis(ethenyl)-17'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),15,17,20-nonaene] is sourced from PubChem (CID 145353482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).