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]

C108H90 — CID 164976528

IUPACmethane;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]
SMILESC.C.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc4)c4ccccc34)cc2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C54H42.C52H40.2CH4/c1-2-10-36(11-3-1)37-18-22-39(23-19-37)52-46-13-4-6-15-48(46)53(49-16-7-5-14-47(49)52)40-24-20-38(21-25-40)41-26-27-45-44-12-8-9-17-50(44)54(51(45)33-41)42-29-34-28-35(31-42)32-43(54)30-34;1-2-10-37-30-39(22-19-34(37)9-1)51-46-14-5-3-12-44(46)50(45-13-4-6-15-47(45)51)36-20-17-35(18-21-36)38-23-24-43-42-11-7-8-16-48(42)52(49(43)31-38)40-26-32-25-33(28-40)29-41(52)27-32;;/h1-27,33-35,42-43H,28-32H2;1-24,30-33,40-41H,25-29H2;2*1H4
InChIKeyDWCBQRCAKBQNRC-UHFFFAOYSA-N
MW1387.91 g/mol
LogP29.53
Rot. Bonds7

About 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]

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] (PubChem CID 164976528) has the molecular formula C108H90 and a molecular weight of 1387.91 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Namemethane;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]
PubChem CID164976528
Molecular FormulaC108H90
Molecular Weight1387.91 g/mol
Exact Mass1386.70
IUPAC Namemethane;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]
SMILESC.C.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc4)c4ccccc34)cc2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C54H42.C52H40.2CH4/c1-2-10-36(11-3-1)37-18-22-39(23-19-37)52-46-13-4-6-15-48(46)53(49-16-7-5-14-47(49)52)40-24-20-38(21-25-40)41-26-27-45-44-12-8-9-17-50(44)54(51(45)33-41)42-29-34-28-35(31-42)32-43(54)30-34;1-2-10-37-30-39(22-19-34(37)9-1)51-46-14-5-3-12-44(46)50(45-13-4-6-15-47(45)51)36-20-17-35(18-21-36)38-23-24-43-42-11-7-8-16-48(42)52(49(43)31-38)40-26-32-25-33(28-40)29-41(52)27-32;;/h1-27,33-35,42-43H,28-32H2;1-24,30-33,40-41H,25-29H2;2*1H4
InChIKeyDWCBQRCAKBQNRC-UHFFFAOYSA-N
XLogP29.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001387.91
LogP ≤ 529.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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] with MolForge

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Related Compounds

trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane
CID 164819102
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
2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]
CID 164819176
2,4-diphenyl-6-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)-1,3,5-triazine
CID 164819330
4-[4-[10-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]anthracen-9-yl]phenyl]dibenzothiophene
CID 164819318
8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 168808966
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 155399537
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808985
8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808718
6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809005
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
8'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808727

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is C.C.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC(C6)CC5C7)cc4)c4ccccc34)cc2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 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]?
The InChIKey is DWCBQRCAKBQNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42.C52H40.2CH4/c1-2-10-36(11-3-1)37-18-22-39(23-19-37)52-46-13-4-6-15-48(46)53(49-16-7-5-14-47(49)52)40-24-20-38(21-25-40)41-26-27-45-44-12-8-9-17-50(44)54(51(45)33-41)42-29-34-28-35(31-42)32-43(54)30-34;1-2-10-37-30-39(22-19-34(37)9-1)51-46-14-5-3-12-44(46)50(45-13-4-6-15-47(45)51)36-20-17-35(18-21-36)38-23-24-43-42-11-7-8-16-48(42)52(49(43)31-38)40-26-32-25-33(28-40)29-41(52)27-32;;/h1-27,33-35,42-43H,28-32H2;1-24,30-33,40-41H,25-29H2;2*1H4.
What are the key properties of 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]?
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] has a molecular weight of 1387.91 g/mol, XLogP of 29.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 164976528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).