7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]

C63H38 — CID 140962324

IUPAC7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4c5c(ccc4c3)-c3ccc4ccccc4c3C53c4ccccc4-c4ccccc43)c3ccccc23)c1
InChIInChI=1S/C63H38/c1-3-20-45-39(15-1)17-14-28-46(45)41-18-13-19-43(37-41)59-51-24-5-7-26-53(51)60(54-27-8-6-25-52(54)59)44-33-34-48-42(38-44)32-36-56-55-35-31-40-16-2-4-21-47(40)61(55)63(62(48)56)57-29-11-9-22-49(57)50-23-10-12-30-58(50)63/h1-38H
InChIKeyUYLPNHDAKWCIQQ-UHFFFAOYSA-N
MW795.00 g/mol
LogP16.80
Rot. Bonds3

About 7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]

7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene] (PubChem CID 140962324) has the molecular formula C63H38 and a molecular weight of 795.00 g/mol. Its IUPAC name is 7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene].

Molecular Properties

Compound Name7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]
PubChem CID140962324
Molecular FormulaC63H38
Molecular Weight795.00 g/mol
Exact Mass794.30
IUPAC Name7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4c5c(ccc4c3)-c3ccc4ccccc4c3C53c4ccccc4-c4ccccc43)c3ccccc23)c1
InChIInChI=1S/C63H38/c1-3-20-45-39(15-1)17-14-28-46(45)41-18-13-19-43(37-41)59-51-24-5-7-26-53(51)60(54-27-8-6-25-52(54)59)44-33-34-48-42(38-44)32-36-56-55-35-31-40-16-2-4-21-47(40)61(55)63(62(48)56)57-29-11-9-22-49(57)50-23-10-12-30-58(50)63/h1-38H
InChIKeyUYLPNHDAKWCIQQ-UHFFFAOYSA-N
XLogP16.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.00
LogP ≤ 516.80
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-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene] with MolForge

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Related Compounds

20'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]
CID 140962197
5'-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962135
9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552
2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 137493809
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
20'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaene]
CID 140962829
17'-(3-pyren-1-ylphenyl)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 140962092
9-naphthalen-1-yl-10-(3-phenanthren-2-ylphenyl)anthracene
CID 58194236
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858

Frequently Asked Questions

What is the IUPAC name of 7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]?
The IUPAC name of 7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene] (CID 140962324) is 7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene].
What is the SMILES notation for 7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]?
The canonical SMILES for 7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene] is c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4c5c(ccc4c3)-c3ccc4ccccc4c3C53c4ccccc4-c4ccccc43)c3ccccc23)c1.
What is the InChIKey of 7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]?
The InChIKey is UYLPNHDAKWCIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38/c1-3-20-45-39(15-1)17-14-28-46(45)41-18-13-19-43(37-41)59-51-24-5-7-26-53(51)60(54-27-8-6-25-52(54)59)44-33-34-48-42(38-44)32-36-56-55-35-31-40-16-2-4-21-47(40)61(55)63(62(48)56)57-29-11-9-22-49(57)50-23-10-12-30-58(50)63/h1-38H.
What are the key properties of 7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]?
7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene] has a molecular weight of 795.00 g/mol, XLogP of 16.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene] is sourced from PubChem (CID 140962324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).