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]

C53H32 — CID 58175305

IUPAC14',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]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21
InChIInChI=1S/C53H32/c1-3-15-35-29-37(27-25-33(35)13-1)51-42-20-5-6-21-43(42)52(38-28-26-34-14-2-4-16-36(34)30-38)46-32-50-44(31-45(46)51)41-19-9-12-24-49(41)53(50)47-22-10-7-17-39(47)40-18-8-11-23-48(40)53/h1-32H
InChIKeyZFHGVVLBSXQNLE-UHFFFAOYSA-N
MW668.84 g/mol
LogP13.98
Rot. Bonds2

About 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]

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] (PubChem CID 58175305) has the molecular formula C53H32 and a molecular weight of 668.84 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name14',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]
PubChem CID58175305
Molecular FormulaC53H32
Molecular Weight668.84 g/mol
Exact Mass668.25
IUPAC Name14',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]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21
InChIInChI=1S/C53H32/c1-3-15-35-29-37(27-25-33(35)13-1)51-42-20-5-6-21-43(42)52(38-28-26-34-14-2-4-16-36(34)30-38)46-32-50-44(31-45(46)51)41-19-9-12-24-49(41)53(50)47-22-10-7-17-39(47)40-18-8-11-23-48(40)53/h1-32H
InChIKeyZFHGVVLBSXQNLE-UHFFFAOYSA-N
XLogP13.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 513.98
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'-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] with MolForge

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Related Compounds

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
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
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
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
6-(10-naphthalen-2-ylanthracen-9-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034510
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
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(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175295
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733
10,10-dimethyl-14,21-dinaphthalen-2-yl-18-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123220350

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc5ccccc5c4)c3cc21.
What is the InChIKey of 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]?
The InChIKey is ZFHGVVLBSXQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32/c1-3-15-35-29-37(27-25-33(35)13-1)51-42-20-5-6-21-43(42)52(38-28-26-34-14-2-4-16-36(34)30-38)46-32-50-44(31-45(46)51)41-19-9-12-24-49(41)53(50)47-22-10-7-17-39(47)40-18-8-11-23-48(40)53/h1-32H.
What are the key properties of 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]?
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] has a molecular weight of 668.84 g/mol, XLogP of 13.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 58175305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).