2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene

C106H80S — CID 164976675

IUPAC2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4ccccc34)c3ccccc23)cc1.c1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C54H40S.C52H40/c1-3-14-45-43(12-1)51(35-22-20-34(21-23-35)39-16-9-17-47-42-11-6-8-19-50(42)55-53(39)47)44-13-2-4-15-46(44)52(45)36-24-25-41-40-10-5-7-18-48(40)54(49(41)31-36)37-27-32-26-33(29-37)30-38(54)28-32;1-2-12-34(13-3-1)38-24-25-47(40-15-5-4-14-39(38)40)51-45-19-8-6-17-43(45)50(44-18-7-9-20-46(44)51)35-22-23-42-41-16-10-11-21-48(41)52(49(42)31-35)36-27-32-26-33(29-36)30-37(52)28-32/h1-25,31-33,37-38H,26-30H2;1-25,31-33,36-37H,26-30H2
InChIKeyDWSIEBMRFIWEIW-UHFFFAOYSA-N
MW1385.87 g/mol
LogP28.95
Rot. Bonds6

About 2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene

2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene (PubChem CID 164976675) has the molecular formula C106H80S and a molecular weight of 1385.87 g/mol. Its IUPAC name is 2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene.

Molecular Properties

Compound Name2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene
PubChem CID164976675
Molecular FormulaC106H80S
Molecular Weight1385.87 g/mol
Exact Mass1384.60
IUPAC Name2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4ccccc34)c3ccccc23)cc1.c1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C54H40S.C52H40/c1-3-14-45-43(12-1)51(35-22-20-34(21-23-35)39-16-9-17-47-42-11-6-8-19-50(42)55-53(39)47)44-13-2-4-15-46(44)52(45)36-24-25-41-40-10-5-7-18-48(40)54(49(41)31-36)37-27-32-26-33(29-37)30-38(54)28-32;1-2-12-34(13-3-1)38-24-25-47(40-15-5-4-14-39(38)40)51-45-19-8-6-17-43(45)50(44-18-7-9-20-46(44)51)35-22-23-42-41-16-10-11-21-48(41)52(49(42)31-35)36-27-32-26-33(29-36)30-37(52)28-32/h1-25,31-33,37-38H,26-30H2;1-25,31-33,36-37H,26-30H2
InChIKeyDWSIEBMRFIWEIW-UHFFFAOYSA-N
XLogP28.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001385.87
LogP ≤ 528.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene with MolForge

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Related Compounds

4-[4-[10-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]anthracen-9-yl]phenyl]dibenzothiophene
CID 164819318
4-(10-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylanthracen-9-yl)dibenzothiophene
CID 168808737
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[adamantane-2,11'-benzo[b]fluorene]-2'-yl-1,3,5-triazine
CID 167353856
2-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene;3-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 164970031
4-dibenzothiophen-4-yl-12-spiro[adamantane-2,9'-fluorene]-2'-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170033676
4-[7'-[3-(9-phenylfluoren-9-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]dibenzothiophene
CID 168803836
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)dibenzothiophen-4-amine
CID 170118882
1-(10-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylanthracen-9-yl)dibenzothiophene
CID 168808709
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808985
4'-[10-(4-phenylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809012
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
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

Frequently Asked Questions

What is the IUPAC name of 2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene?
The IUPAC name of 2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene (CID 164976675) is 2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene.
What is the SMILES notation for 2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene?
The canonical SMILES for 2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C4(c6ccccc6-5)C5CC6CC(C5)CC4C6)c4ccccc34)c3ccccc23)cc1.c1ccc2c(c1)-c1ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)c4ccccc34)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene?
The InChIKey is DWSIEBMRFIWEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40S.C52H40/c1-3-14-45-43(12-1)51(35-22-20-34(21-23-35)39-16-9-17-47-42-11-6-8-19-50(42)55-53(39)47)44-13-2-4-15-46(44)52(45)36-24-25-41-40-10-5-7-18-48(40)54(49(41)31-36)37-27-32-26-33(29-37)30-38(54)28-32;1-2-12-34(13-3-1)38-24-25-47(40-15-5-4-14-39(38)40)51-45-19-8-6-17-43(45)50(44-18-7-9-20-46(44)51)35-22-23-42-41-16-10-11-21-48(41)52(49(42)31-35)36-27-32-26-33(29-36)30-37(52)28-32/h1-25,31-33,37-38H,26-30H2;1-25,31-33,36-37H,26-30H2.
What are the key properties of 2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene?
2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene has a molecular weight of 1385.87 g/mol, XLogP of 28.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];4-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene is sourced from PubChem (CID 164976675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).