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]

C57H34 — CID 140836727

IUPAC2,19'-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]
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4ccccc4c3)cc1C21c2ccccc2-c2c1c1c3ccccc3c(-c3ccc4ccccc4c3)cc1c1ccccc21
InChIInChI=1S/C57H34/c1-3-15-37-31-39(27-25-35(37)13-1)40-29-30-45-44-19-9-11-23-51(44)57(53(45)33-40)52-24-12-10-22-48(52)54-47-21-8-6-18-43(47)50-34-49(41-28-26-36-14-2-4-16-38(36)32-41)42-17-5-7-20-46(42)55(50)56(54)57/h1-34H
InChIKeyIGOWBIZJJXAFEI-UHFFFAOYSA-N
MW718.90 g/mol
LogP15.13
Rot. Bonds2

About 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]

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] (PubChem CID 140836727) has the molecular formula C57H34 and a molecular weight of 718.90 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name2,19'-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]
PubChem CID140836727
Molecular FormulaC57H34
Molecular Weight718.90 g/mol
Exact Mass718.27
IUPAC Name2,19'-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]
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4ccccc4c3)cc1C21c2ccccc2-c2c1c1c3ccccc3c(-c3ccc4ccccc4c3)cc1c1ccccc21
InChIInChI=1S/C57H34/c1-3-15-37-31-39(27-25-35(37)13-1)40-29-30-45-44-19-9-11-23-51(44)57(53(45)33-40)52-24-12-10-22-48(52)54-47-21-8-6-18-43(47)50-34-49(41-28-26-36-14-2-4-16-38(36)32-41)42-17-5-7-20-46(42)55(50)56(54)57/h1-34H
InChIKeyIGOWBIZJJXAFEI-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_3', 'substructure': 'N/A'}

Analyze 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] with MolForge

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Related Compounds

2,7-dinaphthalen-1-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 140836726
2,19'-di(anthracen-9-yl)spiro[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 140836704
2,2'-di(perylen-2-yl)-9,9'-spirobi[fluorene]
CID 91280575
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
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
21-[7-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 58569373
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-[3-[6-(4-naphthalen-2-ylphenyl)pyren-1-yl]phenyl]-9,9'-spirobi[fluorene]
CID 170778750
5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)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 140962531
21-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 58569858
9-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-15-(6-naphthalen-2-ylnaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58151602
20'-(2-pyren-1-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];20'-(3-pyren-1-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];20'-(4-pyren-1-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 158430376

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc2c(c1)-c1ccc(-c3ccc4ccccc4c3)cc1C21c2ccccc2-c2c1c1c3ccccc3c(-c3ccc4ccccc4c3)cc1c1ccccc21.
What is the InChIKey of 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]?
The InChIKey is IGOWBIZJJXAFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34/c1-3-15-37-31-39(27-25-35(37)13-1)40-29-30-45-44-19-9-11-23-51(44)57(53(45)33-40)52-24-12-10-22-48(52)54-47-21-8-6-18-43(47)50-34-49(41-28-26-36-14-2-4-16-38(36)32-41)42-17-5-7-20-46(42)55(50)56(54)57/h1-34H.
What are the key properties of 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]?
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] 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 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] is sourced from PubChem (CID 140836727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).