3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]

C49H30 — CID 166034437

IUPAC3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)ccc3c21
InChIInChI=1S/C49H30/c1-2-10-32-27-33(18-17-31(32)9-1)34-19-20-36-29-37(22-21-35(36)28-34)38-23-25-40-39(30-38)24-26-44-43-13-5-8-16-47(43)49(48(40)44)45-14-6-3-11-41(45)42-12-4-7-15-46(42)49/h1-30H
InChIKeyFXFJUCOWMXLKQL-UHFFFAOYSA-N
MW618.78 g/mol
LogP12.82
Rot. Bonds2

About 3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]

3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene] (PubChem CID 166034437) has the molecular formula C49H30 and a molecular weight of 618.78 g/mol. Its IUPAC name is 3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene].

Molecular Properties

Compound Name3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
PubChem CID166034437
Molecular FormulaC49H30
Molecular Weight618.78 g/mol
Exact Mass618.23
IUPAC Name3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)ccc3c21
InChIInChI=1S/C49H30/c1-2-10-32-27-33(18-17-31(32)9-1)34-19-20-36-29-37(22-21-35(36)28-34)38-23-25-40-39(30-38)24-26-44-43-13-5-8-16-47(43)49(48(40)44)45-14-6-3-11-41(45)42-12-4-7-15-46(42)49/h1-30H
InChIKeyFXFJUCOWMXLKQL-UHFFFAOYSA-N
XLogP12.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.78
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene
CID 166034195
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
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
2,4-diphenyl-6-(3-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]-17'-ylphenyl)-1,3,5-triazine
CID 137494788
8-(6-spiro[benzo[a]fluorene-11,9'-fluorene]-3-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran
CID 166034203
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
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
aniline;propane;4-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]-17'-ylaniline
CID 145353363
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
7'-(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 145353249
3-(7-bromo-9,9-dimethylfluoren-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144872
6-(10-naphthalen-2-ylanthracen-9-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034510

Frequently Asked Questions

What is the IUPAC name of 3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]?
The IUPAC name of 3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene] (CID 166034437) is 3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene].
What is the SMILES notation for 3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]?
The canonical SMILES for 3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc3cc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)ccc3c21.
What is the InChIKey of 3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]?
The InChIKey is FXFJUCOWMXLKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30/c1-2-10-32-27-33(18-17-31(32)9-1)34-19-20-36-29-37(22-21-35(36)28-34)38-23-25-40-39(30-38)24-26-44-43-13-5-8-16-47(43)49(48(40)44)45-14-6-3-11-41(45)42-12-4-7-15-46(42)49/h1-30H.
What are the key properties of 3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]?
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene] has a molecular weight of 618.78 g/mol, XLogP of 12.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene] is sourced from PubChem (CID 166034437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).