18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]

C53H36 — CID 144772650

IUPAC18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]
SMILESC1=Cc2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4c4c(c5cc(-c6ccc7ccccc7c6)ccc35)CCC=C4)ccc2CC1
InChIInChI=1S/C53H36/c1-3-13-35-29-37(23-21-33(35)11-1)39-25-27-45-47(31-39)41-15-5-6-18-44(41)51-46-28-26-40(38-24-22-34-12-2-4-14-36(34)30-38)32-50(46)53(52(45)51)48-19-9-7-16-42(48)43-17-8-10-20-49(43)53/h1,3-4,6-11,13-14,16-32H,2,5,12,15H2
InChIKeyYOKCONOYYIALAB-UHFFFAOYSA-N
MW672.87 g/mol
LogP13.59
Rot. Bonds2

About 18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]

18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene] (PubChem CID 144772650) has the molecular formula C53H36 and a molecular weight of 672.87 g/mol. Its IUPAC name is 18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene].

Molecular Properties

Compound Name18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]
PubChem CID144772650
Molecular FormulaC53H36
Molecular Weight672.87 g/mol
Exact Mass672.28
IUPAC Name18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]
SMILESC1=Cc2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4c4c(c5cc(-c6ccc7ccccc7c6)ccc35)CCC=C4)ccc2CC1
InChIInChI=1S/C53H36/c1-3-13-35-29-37(23-21-33(35)11-1)39-25-27-45-47(31-39)41-15-5-6-18-44(41)51-46-28-26-40(38-24-22-34-12-2-4-14-36(34)30-38)32-50(46)53(52(45)51)48-19-9-7-16-42(48)43-17-8-10-20-49(43)53/h1,3-4,6-11,13-14,16-32H,2,5,12,15H2
InChIKeyYOKCONOYYIALAB-UHFFFAOYSA-N
XLogP13.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.87
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene] 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

5,18,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene
CID 144772581
hexane;5,18,21,21-tetraphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene
CID 144772580
2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 145204079
2-(7,8-dihydronaphthalen-2-yl)-7-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]
CID 137455213
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2,19'-dinaphthalen-2-ylspiro[fluorene-9,3'-hexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene]
CID 140836727
1,6-dibromo-3-(5,6-dihydronaphthalen-2-yl)-8-naphthalen-2-ylpyrene
CID 143938198
2-(5,6-dihydronaphthalen-2-yl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 167235326
10-[3-(5,6-dihydronaphthalen-2-yl)phenyl]-9-naphthalen-2-yl-2-phenyl-1,2-dihydroanthracene
CID 167515701
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

Frequently Asked Questions

What is the IUPAC name of 18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]?
The IUPAC name of 18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene] (CID 144772650) is 18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene].
What is the SMILES notation for 18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]?
The canonical SMILES for 18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene] is C1=Cc2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4c4c(c5cc(-c6ccc7ccccc7c6)ccc35)CCC=C4)ccc2CC1.
What is the InChIKey of 18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]?
The InChIKey is YOKCONOYYIALAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36/c1-3-13-35-29-37(23-21-33(35)11-1)39-25-27-45-47(31-39)41-15-5-6-18-44(41)51-46-28-26-40(38-24-22-34-12-2-4-14-36(34)30-38)32-50(46)53(52(45)51)48-19-9-7-16-42(48)43-17-8-10-20-49(43)53/h1,3-4,6-11,13-14,16-32H,2,5,12,15H2.
What are the key properties of 18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]?
18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene] has a molecular weight of 672.87 g/mol, XLogP of 13.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene] is sourced from PubChem (CID 144772650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).