2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol

C47H32O — CID 143933927

IUPAC2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol
SMILESOC1CC1c1ccc2c(-c3ccc4ccccc4c3)c3ccc(-c4ccc5ccccc5c4)cc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C47H32O/c48-45-28-42(45)37-20-22-41-44(27-37)47(39-18-15-31-9-3-6-12-34(31)25-39)43-26-36(35-16-13-29-7-1-4-10-32(29)23-35)19-21-40(43)46(41)38-17-14-30-8-2-5-11-33(30)24-38/h1-27,42,45,48H,28H2
InChIKeyLWXHYUFALUNCQD-UHFFFAOYSA-N
MW612.77 g/mol
LogP12.30
Rot. Bonds4

About 2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol

2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol (PubChem CID 143933927) has the molecular formula C47H32O and a molecular weight of 612.77 g/mol. Its IUPAC name is 2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol
PubChem CID143933927
Molecular FormulaC47H32O
Molecular Weight612.77 g/mol
Exact Mass612.25
IUPAC Name2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol
SMILESOC1CC1c1ccc2c(-c3ccc4ccccc4c3)c3ccc(-c4ccc5ccccc5c4)cc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C47H32O/c48-45-28-42(45)37-20-22-41-44(27-37)47(39-18-15-31-9-3-6-12-34(31)25-39)43-26-36(35-16-13-29-7-1-4-10-32(29)23-35)19-21-40(43)46(41)38-17-14-30-8-2-5-11-33(30)24-38/h1-27,42,45,48H,28H2
InChIKeyLWXHYUFALUNCQD-UHFFFAOYSA-N
XLogP12.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.77
LogP ≤ 512.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2,7,9,10-tetranaphthalen-2-ylphenanthrene
CID 21136771
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-phenanthren-3-ylanthracene
CID 58194365
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323

Frequently Asked Questions

What is the IUPAC name of 2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol?
The IUPAC name of 2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol (CID 143933927) is 2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol.
What is the SMILES notation for 2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol?
The canonical SMILES for 2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol is OC1CC1c1ccc2c(-c3ccc4ccccc4c3)c3ccc(-c4ccc5ccccc5c4)cc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol?
The InChIKey is LWXHYUFALUNCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32O/c48-45-28-42(45)37-20-22-41-44(27-37)47(39-18-15-31-9-3-6-12-34(31)25-39)43-26-36(35-16-13-29-7-1-4-10-32(29)23-35)19-21-40(43)46(41)38-17-14-30-8-2-5-11-33(30)24-38/h1-27,42,45,48H,28H2.
What are the key properties of 2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol?
2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol has a molecular weight of 612.77 g/mol, XLogP of 12.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,9,10-trinaphthalen-2-ylanthracen-2-yl)cyclopropan-1-ol is sourced from PubChem (CID 143933927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).