1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene]

C56H42 — CID 156896675

IUPAC1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
SMILESCCc1ccc(-c2ccccc2)c2ccccc12.c1ccc(-c2cccc(Cc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C38H26.C18H16/c1-2-12-28(13-3-1)29-14-10-11-26(24-29)23-27-21-22-33-32-17-6-9-20-36(32)38(37(33)25-27)34-18-7-4-15-30(34)31-16-5-8-19-35(31)38;1-2-14-12-13-17(15-8-4-3-5-9-15)18-11-7-6-10-16(14)18/h1-22,24-25H,23H2;3-13H,2H2,1H3
InChIKeyBLTAUIVUCPAHQI-UHFFFAOYSA-N
MW714.95 g/mol
LogP14.36
Rot. Bonds5

About 1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene]

1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene] (PubChem CID 156896675) has the molecular formula C56H42 and a molecular weight of 714.95 g/mol. Its IUPAC name is 1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
PubChem CID156896675
Molecular FormulaC56H42
Molecular Weight714.95 g/mol
Exact Mass714.33
IUPAC Name1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
SMILESCCc1ccc(-c2ccccc2)c2ccccc12.c1ccc(-c2cccc(Cc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C38H26.C18H16/c1-2-12-28(13-3-1)29-14-10-11-26(24-29)23-27-21-22-33-32-17-6-9-20-36(32)38(37(33)25-27)34-18-7-4-15-30(34)31-16-5-8-19-35(31)38;1-2-14-12-13-17(15-8-4-3-5-9-15)18-11-7-6-10-16(14)18/h1-22,24-25H,23H2;3-13H,2H2,1H3
InChIKeyBLTAUIVUCPAHQI-UHFFFAOYSA-N
XLogP14.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.95
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-[(9,9-dimethylfluoren-2-yl)methyl]-9,9-dimethyl-7-phenylfluorene
CID 157190437
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
2-benzylspiro[fluorene-9,9'-xanthene]
CID 155763710
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
2-(4-bromophenyl)-9,9'-spirobi[fluorene];1-phenyl-4-[(4-phenylphenyl)methyl]benzene;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 161198926
4-ethyl-6-naphthalen-1-yl-1-phenylnaphthalene
CID 161426162
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
3-(4-benzylphenyl)-9-(9,9-diphenylfluoren-2-yl)carbazole;3-(4-benzylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 159140544
2-[[4-[4-(9H-fluoren-9-ylmethyl)phenyl]phenyl]methyl]-9,9'-spirobi[fluorene]
CID 145077269

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
The IUPAC name of 1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene] (CID 156896675) is 1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene] is CCc1ccc(-c2ccccc2)c2ccccc12.c1ccc(-c2cccc(Cc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.
What is the InChIKey of 1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
The InChIKey is BLTAUIVUCPAHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26.C18H16/c1-2-12-28(13-3-1)29-14-10-11-26(24-29)23-27-21-22-33-32-17-6-9-20-36(32)38(37(33)25-27)34-18-7-4-15-30(34)31-16-5-8-19-35(31)38;1-2-14-12-13-17(15-8-4-3-5-9-15)18-11-7-6-10-16(14)18/h1-22,24-25H,23H2;3-13H,2H2,1H3.
What are the key properties of 1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene]?
1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene] has a molecular weight of 714.95 g/mol, XLogP of 14.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-phenylnaphthalene;2-[(3-phenylphenyl)methyl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 156896675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).