9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene

C63H42 — CID 140834619

IUPAC9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene
SMILESC(=C/c1ccc(-c2ccccc2)c2ccccc12)\c1ccc(-c2c3ccccc3c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C63H42/c1-3-17-44(18-4-1)51-42-39-45(50-21-7-8-22-52(50)51)34-31-43-32-35-46(36-33-43)61-55-25-9-11-27-57(55)62(58-28-12-10-26-56(58)61)47-37-40-49(41-38-47)63(48-19-5-2-6-20-48)59-29-15-13-23-53(59)54-24-14-16-30-60(54)63/h1-42H/b34-31+
InChIKeyKYIWBUWGQSMECC-WUVHBKSUSA-N
MW799.03 g/mol
LogP16.68
Rot. Bonds7

About 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene

9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene (PubChem CID 140834619) has the molecular formula C63H42 and a molecular weight of 799.03 g/mol. Its IUPAC name is 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene.

Molecular Properties

Compound Name9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene
PubChem CID140834619
Molecular FormulaC63H42
Molecular Weight799.03 g/mol
Exact Mass798.33
IUPAC Name9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene
SMILESC(=C/c1ccc(-c2ccccc2)c2ccccc12)\c1ccc(-c2c3ccccc3c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C63H42/c1-3-17-44(18-4-1)51-42-39-45(50-21-7-8-22-52(50)51)34-31-43-32-35-46(36-33-43)61-55-25-9-11-27-57(55)62(58-28-12-10-26-56(58)61)47-37-40-49(41-38-47)63(48-19-5-2-6-20-48)59-29-15-13-23-53(59)54-24-14-16-30-60(54)63/h1-42H/b34-31+
InChIKeyKYIWBUWGQSMECC-WUVHBKSUSA-N
XLogP16.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.03
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123929110
9-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123832352
9-phenyl-10-[4-[2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]anthracene
CID 123602270
9-(9,9-diphenylfluoren-2-yl)-10-(4-phenylphenyl)anthracene
CID 140792270
9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 140834704
9-[4-[9-(4-methylphenyl)fluoren-9-yl]phenyl]-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123212065
9-[4-(3,5-diphenylphenyl)phenyl]-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123749528
9-phenyl-10-[2,3,5,6-tetradeuterio-4-(9,9-diphenylfluoren-2-yl)phenyl]anthracene
CID 164737939
9-[4-[9-(3-bromophenyl)fluoren-9-yl]phenyl]-10-phenylanthracene
CID 87087450
9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
CID 123439671
(9,9-diphenylfluoren-2-yl)-dimethyl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123170275
9-[4-[4-[9-[4-(4-anthracen-9-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]anthracene;9-[9,9-bis(4-anthracen-9-ylphenyl)-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-10-phenylanthracene;methane
CID 159419556

Frequently Asked Questions

What is the IUPAC name of 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene?
The IUPAC name of 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene (CID 140834619) is 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene.
What is the SMILES notation for 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene?
The canonical SMILES for 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene is C(=C/c1ccc(-c2ccccc2)c2ccccc12)\c1ccc(-c2c3ccccc3c(-c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene?
The InChIKey is KYIWBUWGQSMECC-WUVHBKSUSA-N. The full InChI is InChI=1S/C63H42/c1-3-17-44(18-4-1)51-42-39-45(50-21-7-8-22-52(50)51)34-31-43-32-35-46(36-33-43)61-55-25-9-11-27-57(55)62(58-28-12-10-26-56(58)61)47-37-40-49(41-38-47)63(48-19-5-2-6-20-48)59-29-15-13-23-53(59)54-24-14-16-30-60(54)63/h1-42H/b34-31+.
What are the key properties of 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene?
9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene has a molecular weight of 799.03 g/mol, XLogP of 16.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(9-phenylfluoren-9-yl)phenyl]-10-[4-[(E)-2-(4-phenylnaphthalen-1-yl)ethenyl]phenyl]anthracene is sourced from PubChem (CID 140834619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).