2,7,9,10-tetranaphthalen-2-ylphenanthrene

C54H34 — CID 21136771

IUPAC2,7,9,10-tetranaphthalen-2-ylphenanthrene
SMILESc1ccc2cc(-c3ccc4c(c3)c(-c3ccc5ccccc5c3)c(-c3ccc5ccccc5c3)c3cc(-c5ccc6ccccc6c5)ccc34)ccc2c1
InChIInChI=1S/C54H34/c1-5-13-39-29-43(21-17-35(39)9-1)45-25-27-49-50-28-26-46(44-22-18-36-10-2-6-14-40(36)30-44)34-52(50)54(48-24-20-38-12-4-8-16-42(38)32-48)53(51(49)33-45)47-23-19-37-11-3-7-15-41(37)31-47/h1-34H
InChIKeyMGAXILUWQCCQCO-UHFFFAOYSA-N
MW682.87 g/mol
LogP15.27
Rot. Bonds4

About 2,7,9,10-tetranaphthalen-2-ylphenanthrene

2,7,9,10-tetranaphthalen-2-ylphenanthrene (PubChem CID 21136771) has the molecular formula C54H34 and a molecular weight of 682.87 g/mol. Its IUPAC name is 2,7,9,10-tetranaphthalen-2-ylphenanthrene.

Molecular Properties

Compound Name2,7,9,10-tetranaphthalen-2-ylphenanthrene
PubChem CID21136771
Molecular FormulaC54H34
Molecular Weight682.87 g/mol
Exact Mass682.27
IUPAC Name2,7,9,10-tetranaphthalen-2-ylphenanthrene
SMILESc1ccc2cc(-c3ccc4c(c3)c(-c3ccc5ccccc5c3)c(-c3ccc5ccccc5c3)c3cc(-c5ccc6ccccc6c5)ccc34)ccc2c1
InChIInChI=1S/C54H34/c1-5-13-39-29-43(21-17-35(39)9-1)45-25-27-49-50-28-26-46(44-22-18-36-10-2-6-14-40(36)30-44)34-52(50)54(48-24-20-38-12-4-8-16-42(38)32-48)53(51(49)33-45)47-23-19-37-11-3-7-15-41(37)31-47/h1-34H
InChIKeyMGAXILUWQCCQCO-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
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-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
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
CID 123747688
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692

Frequently Asked Questions

What is the IUPAC name of 2,7,9,10-tetranaphthalen-2-ylphenanthrene?
The IUPAC name of 2,7,9,10-tetranaphthalen-2-ylphenanthrene (CID 21136771) is 2,7,9,10-tetranaphthalen-2-ylphenanthrene.
What is the SMILES notation for 2,7,9,10-tetranaphthalen-2-ylphenanthrene?
The canonical SMILES for 2,7,9,10-tetranaphthalen-2-ylphenanthrene is c1ccc2cc(-c3ccc4c(c3)c(-c3ccc5ccccc5c3)c(-c3ccc5ccccc5c3)c3cc(-c5ccc6ccccc6c5)ccc34)ccc2c1.
What is the InChIKey of 2,7,9,10-tetranaphthalen-2-ylphenanthrene?
The InChIKey is MGAXILUWQCCQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34/c1-5-13-39-29-43(21-17-35(39)9-1)45-25-27-49-50-28-26-46(44-22-18-36-10-2-6-14-40(36)30-44)34-52(50)54(48-24-20-38-12-4-8-16-42(38)32-48)53(51(49)33-45)47-23-19-37-11-3-7-15-41(37)31-47/h1-34H.
What are the key properties of 2,7,9,10-tetranaphthalen-2-ylphenanthrene?
2,7,9,10-tetranaphthalen-2-ylphenanthrene has a molecular weight of 682.87 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9,10-tetranaphthalen-2-ylphenanthrene is sourced from PubChem (CID 21136771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).