5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]

C45H28 — CID 101471754

IUPAC5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc(-c1ccc(-c3cccc4ccccc34)cc1)c1ccccc21
InChIInChI=1S/C45H28/c1-2-14-32-29(12-1)13-11-20-33(32)30-24-26-31(27-25-30)39-28-43-44(37-18-4-3-15-34(37)39)38-19-7-10-23-42(38)45(43)40-21-8-5-16-35(40)36-17-6-9-22-41(36)45/h1-28H
InChIKeyOIZSDSDPRCBPGA-UHFFFAOYSA-N
MW568.72 g/mol
LogP11.67
Rot. Bonds2

About 5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]

5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene] (PubChem CID 101471754) has the molecular formula C45H28 and a molecular weight of 568.72 g/mol. Its IUPAC name is 5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene].

Molecular Properties

Compound Name5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
PubChem CID101471754
Molecular FormulaC45H28
Molecular Weight568.72 g/mol
Exact Mass568.22
IUPAC Name5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc(-c1ccc(-c3cccc4ccccc34)cc1)c1ccccc21
InChIInChI=1S/C45H28/c1-2-14-32-29(12-1)13-11-20-33(32)30-24-26-31(27-25-30)39-28-43-44(37-18-4-3-15-34(37)39)38-19-7-10-23-42(38)45(43)40-21-8-5-16-35(40)36-17-6-9-22-41(36)45/h1-28H
InChIKeyOIZSDSDPRCBPGA-UHFFFAOYSA-N
XLogP11.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,9-dinaphthalen-1-ylspiro[benzo[c]fluorene-7,9'-fluorene];iodomethane;prop-1-ene
CID 144772590
3'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485119
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485112
22'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962518
9'-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962964
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2'-[12-(4-naphthalen-1-ylphenyl)chrysen-6-yl]spiro[benzo[a]phenalene-7,9'-fluorene]
CID 153485109
16'-phenanthren-1-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13(18),14,16,19,21-undecaene]
CID 58390390
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733
2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine
CID 58233397
9'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140961818
17'-phenanthren-3-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 58390382

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]?
The IUPAC name of 5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene] (CID 101471754) is 5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene].
What is the SMILES notation for 5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]?
The canonical SMILES for 5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc(-c1ccc(-c3cccc4ccccc34)cc1)c1ccccc21.
What is the InChIKey of 5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]?
The InChIKey is OIZSDSDPRCBPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28/c1-2-14-32-29(12-1)13-11-20-33(32)30-24-26-31(27-25-30)39-28-43-44(37-18-4-3-15-34(37)39)38-19-7-10-23-42(38)45(43)40-21-8-5-16-35(40)36-17-6-9-22-41(36)45/h1-28H.
What are the key properties of 5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]?
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene] has a molecular weight of 568.72 g/mol, XLogP of 11.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene] is sourced from PubChem (CID 101471754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).