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]

C69H44 — CID 58175351

IUPAC14',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]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc5c(cc34)-c3ccccc3C53c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C69H44/c1-5-21-45(22-6-1)49-37-50(46-23-7-2-8-24-46)40-53(39-49)67-58-32-13-14-33-59(58)68(54-41-51(47-25-9-3-10-26-47)38-52(42-54)48-27-11-4-12-28-48)62-44-66-60(43-61(62)67)57-31-17-20-36-65(57)69(66)63-34-18-15-29-55(63)56-30-16-19-35-64(56)69/h1-44H
InChIKeyBNWKFLQFCAJFOS-UHFFFAOYSA-N
MW873.11 g/mol
LogP18.34
Rot. Bonds6

About 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]

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] (PubChem CID 58175351) has the molecular formula C69H44 and a molecular weight of 873.11 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name14',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]
PubChem CID58175351
Molecular FormulaC69H44
Molecular Weight873.11 g/mol
Exact Mass872.34
IUPAC Name14',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]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc5c(cc34)-c3ccccc3C53c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C69H44/c1-5-21-45(22-6-1)49-37-50(46-23-7-2-8-24-46)40-53(39-49)67-58-32-13-14-33-59(58)68(54-41-51(47-25-9-3-10-26-47)38-52(42-54)48-27-11-4-12-28-48)62-44-66-60(43-61(62)67)57-31-17-20-36-65(57)69(66)63-34-18-15-29-55(63)56-30-16-19-35-64(56)69/h1-44H
InChIKeyBNWKFLQFCAJFOS-UHFFFAOYSA-N
XLogP18.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.11
LogP ≤ 518.34
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'-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] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

19'-(3,5-diphenylphenyl)spiro[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(22),18,20-dodecaene]
CID 158550157
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
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-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
3'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483785
20'-(3-triphenylen-2-ylphenyl)spiro[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(22),18,20-dodecaene]
CID 159754407
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
2-[10-(4-phenylphenyl)anthracen-9-yl]spiro[fluorene-9,9'-thioxanthene]
CID 167178487
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
CID 23590230
CID 23590230

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc5c(cc34)-c3ccccc3C53c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 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]?
The InChIKey is BNWKFLQFCAJFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H44/c1-5-21-45(22-6-1)49-37-50(46-23-7-2-8-24-46)40-53(39-49)67-58-32-13-14-33-59(58)68(54-41-51(47-25-9-3-10-26-47)38-52(42-54)48-27-11-4-12-28-48)62-44-66-60(43-61(62)67)57-31-17-20-36-65(57)69(66)63-34-18-15-29-55(63)56-30-16-19-35-64(56)69/h1-44H.
What are the key properties of 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]?
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] has a molecular weight of 873.11 g/mol, XLogP of 18.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 58175351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).