3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]

C102H80 — CID 165001984

IUPAC3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccccc34)c2)cc1
InChIInChI=1S/C54H42.C48H38/c1-2-10-36(11-3-1)37-18-20-38(21-19-37)39-22-24-40(25-23-39)52-45-13-4-6-15-47(45)53(48-16-7-5-14-46(48)52)41-26-27-51-49(33-41)44-12-8-9-17-50(44)54(51)42-29-34-28-35(31-42)32-43(54)30-34;1-2-11-32(12-3-1)33-13-10-14-34(28-33)46-39-16-4-6-18-41(39)47(42-19-7-5-17-40(42)46)35-21-22-45-43(29-35)38-15-8-9-20-44(38)48(45)36-24-30-23-31(26-36)27-37(48)25-30/h1-27,33-35,42-43H,28-32H2;1-22,28-31,36-37H,23-27H2
InChIKeyIJSMOKVLQSPDPL-UHFFFAOYSA-N
MW1305.76 g/mol
LogP27.10
Rot. Bonds7

About 3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]

3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene] (PubChem CID 165001984) has the molecular formula C102H80 and a molecular weight of 1305.76 g/mol. Its IUPAC name is 3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene].

Molecular Properties

Compound Name3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]
PubChem CID165001984
Molecular FormulaC102H80
Molecular Weight1305.76 g/mol
Exact Mass1304.63
IUPAC Name3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccccc34)c2)cc1
InChIInChI=1S/C54H42.C48H38/c1-2-10-36(11-3-1)37-18-20-38(21-19-37)39-22-24-40(25-23-39)52-45-13-4-6-15-47(45)53(48-16-7-5-14-46(48)52)41-26-27-51-49(33-41)44-12-8-9-17-50(44)54(51)42-29-34-28-35(31-42)32-43(54)30-34;1-2-11-32(12-3-1)33-13-10-14-34(28-33)46-39-16-4-6-18-41(39)47(42-19-7-5-17-40(42)46)35-21-22-45-43(29-35)38-15-8-9-20-44(38)48(45)36-24-30-23-31(26-36)27-37(48)25-30/h1-27,33-35,42-43H,28-32H2;1-22,28-31,36-37H,23-27H2
InChIKeyIJSMOKVLQSPDPL-UHFFFAOYSA-N
XLogP27.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001305.76
LogP ≤ 527.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene] with MolForge

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Related Compounds

5'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808797
methane;2'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[adamantane-2,9'-fluorene];2'-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[adamantane-2,9'-fluorene]
CID 164976528
4'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809012
3'-[10-(2,4-diphenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-3'-ylanthracen-9-yl)carbazole
CID 164972681
7-(10-spiro[adamantane-2,9'-fluorene]-3'-ylanthracen-9-yl)-1H-indole
CID 167165207
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
CID 156573524
trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane
CID 164819102
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819047
8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808718
N-[3-(3-phenylphenyl)phenyl]-2-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)aniline
CID 167413755
2,4-diphenyl-6-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)-1,3,5-triazine
CID 164819330

Frequently Asked Questions

What is the IUPAC name of 3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]?
The IUPAC name of 3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene] (CID 165001984) is 3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene].
What is the SMILES notation for 3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]?
The canonical SMILES for 3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene] is c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)c4ccccc34)c2)cc1.
What is the InChIKey of 3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]?
The InChIKey is IJSMOKVLQSPDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42.C48H38/c1-2-10-36(11-3-1)37-18-20-38(21-19-37)39-22-24-40(25-23-39)52-45-13-4-6-15-47(45)53(48-16-7-5-14-46(48)52)41-26-27-51-49(33-41)44-12-8-9-17-50(44)54(51)42-29-34-28-35(31-42)32-43(54)30-34;1-2-11-32(12-3-1)33-13-10-14-34(28-33)46-39-16-4-6-18-41(39)47(42-19-7-5-17-40(42)46)35-21-22-45-43(29-35)38-15-8-9-20-44(38)48(45)36-24-30-23-31(26-36)27-37(48)25-30/h1-27,33-35,42-43H,28-32H2;1-22,28-31,36-37H,23-27H2.
What are the key properties of 3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene]?
3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene] has a molecular weight of 1305.76 g/mol, XLogP of 27.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[10-(3-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];3'-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]spiro[adamantane-2,9'-fluorene] is sourced from PubChem (CID 165001984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).