10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene

C52H36 — CID 154436056

IUPAC10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4ccccc4C(=C4c5ccccc5Cc5ccccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C52H36/c1-3-15-36(16-4-1)38-27-31-42(32-28-38)52(43-33-29-39(30-34-43)37-17-5-2-6-18-37)48-25-13-11-23-46(48)51(47-24-12-14-26-49(47)52)50-44-21-9-7-19-40(44)35-41-20-8-10-22-45(41)50/h1-34H,35H2
InChIKeyDBTBLGQGEHJQKF-UHFFFAOYSA-N
MW660.86 g/mol
LogP12.63
Rot. Bonds4

About 10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene

10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene (PubChem CID 154436056) has the molecular formula C52H36 and a molecular weight of 660.86 g/mol. Its IUPAC name is 10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene
PubChem CID154436056
Molecular FormulaC52H36
Molecular Weight660.86 g/mol
Exact Mass660.28
IUPAC Name10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene
SMILESc1ccc(-c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4ccccc4C(=C4c5ccccc5Cc5ccccc54)c4ccccc43)cc2)cc1
InChIInChI=1S/C52H36/c1-3-15-36(16-4-1)38-27-31-42(32-28-38)52(43-33-29-39(30-34-43)37-17-5-2-6-18-37)48-25-13-11-23-46(48)51(47-24-12-14-26-49(47)52)50-44-21-9-7-19-40(44)35-41-20-8-10-22-45(41)50/h1-34H,35H2
InChIKeyDBTBLGQGEHJQKF-UHFFFAOYSA-N
XLogP12.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
3,9,9-triphenylfluorene
CID 140844354
1-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 144907616
1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9,9-diphenylfluorene;methane
CID 145140147
9,9-diphenylfluorene;methane
CID 145331804
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850
2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 157309373

Frequently Asked Questions

What is the IUPAC name of 10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene?
The IUPAC name of 10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene (CID 154436056) is 10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene.
What is the SMILES notation for 10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene?
The canonical SMILES for 10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene is c1ccc(-c2ccc(C3(c4ccc(-c5ccccc5)cc4)c4ccccc4C(=C4c5ccccc5Cc5ccccc54)c4ccccc43)cc2)cc1.
What is the InChIKey of 10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene?
The InChIKey is DBTBLGQGEHJQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36/c1-3-15-36(16-4-1)38-27-31-42(32-28-38)52(43-33-29-39(30-34-43)37-17-5-2-6-18-37)48-25-13-11-23-46(48)51(47-24-12-14-26-49(47)52)50-44-21-9-7-19-40(44)35-41-20-8-10-22-45(41)50/h1-34H,35H2.
What are the key properties of 10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene?
10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene has a molecular weight of 660.86 g/mol, XLogP of 12.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10H-anthracen-9-ylidene)-9,9-bis(4-phenylphenyl)anthracene is sourced from PubChem (CID 154436056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).