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]

C57H34 — CID 140962634

IUPAC7'-(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]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2cc3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3cc21
InChIInChI=1S/C57H34/c1-2-14-36-29-40(27-25-35(36)13-1)55-45-19-5-7-21-47(45)56(48-22-8-6-20-46(48)55)41-28-26-39-32-50-49-31-37-15-3-4-16-38(37)33-53(49)57(54(50)34-42(39)30-41)51-23-11-9-17-43(51)44-18-10-12-24-52(44)57/h1-34H
InChIKeyUCZBZCRYIVPASB-UHFFFAOYSA-N
MW718.90 g/mol
LogP15.13
Rot. Bonds2

About 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]

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] (PubChem CID 140962634) has the molecular formula C57H34 and a molecular weight of 718.90 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name7'-(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]
PubChem CID140962634
Molecular FormulaC57H34
Molecular Weight718.90 g/mol
Exact Mass718.27
IUPAC Name7'-(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]
SMILESc1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2cc3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3cc21
InChIInChI=1S/C57H34/c1-2-14-36-29-40(27-25-35(36)13-1)55-45-19-5-7-21-47(45)56(48-22-8-6-20-46(48)55)41-28-26-39-32-50-49-31-37-15-3-4-16-38(37)33-53(49)57(54(50)34-42(39)30-41)51-23-11-9-17-43(51)44-18-10-12-24-52(44)57/h1-34H
InChIKeyUCZBZCRYIVPASB-UHFFFAOYSA-N
XLogP15.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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] 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
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
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
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
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
17'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]
CID 140962446
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
6-(10-naphthalen-2-ylanthracen-9-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034510
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
7'-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]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'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]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'-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]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 162031812
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733
17'-[10-(3-naphthalen-2-ylphenyl)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];17'-[10-(4-naphthalen-2-ylphenyl)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];17'-[10-(4-phenylnaphthalen-1-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];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 161366156

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc2c(c1)-c1ccccc1C21c2cc3ccccc3cc2-c2cc3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3cc21.
What is the InChIKey of 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]?
The InChIKey is UCZBZCRYIVPASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34/c1-2-14-36-29-40(27-25-35(36)13-1)55-45-19-5-7-21-47(45)56(48-22-8-6-20-46(48)55)41-28-26-39-32-50-49-31-37-15-3-4-16-38(37)33-53(49)57(54(50)34-42(39)30-41)51-23-11-9-17-43(51)44-18-10-12-24-52(44)57/h1-34H.
What are the key properties of 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]?
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] has a molecular weight of 718.90 g/mol, XLogP of 15.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 140962634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).