9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene

C119H86Br2 — CID 160689526

IUPAC9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene
SMILESBrc1c2ccccc2cc2ccccc12.Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6c7ccccc7c(-c7ccc(C)cc7)c7ccccc67)ccc4-5)cc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(Br)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C63H46.C21H15Br.C21H16.C14H9Br/c1-39-21-25-42(26-22-39)59-49-13-5-7-15-51(49)61(52-16-8-6-14-50(52)59)44-31-29-41(30-32-44)45-33-35-47-48-36-34-46(38-58(48)63(3,4)57(47)37-45)62-55-19-11-9-17-53(55)60(43-27-23-40(2)24-28-43)54-18-10-12-20-56(54)62;1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21(22)19-9-5-3-7-17(19)20;1-15-10-12-16(13-11-15)21-19-8-4-2-6-17(19)14-18-7-3-5-9-20(18)21;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h5-38H,1-4H3;2-13H,1H3;2-14H,1H3;1-9H
InChIKeyRPFLXNCYWRUMFC-UHFFFAOYSA-N
MW1675.80 g/mol
LogP35.01
Rot. Bonds7

About 9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene

9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene (PubChem CID 160689526) has the molecular formula C119H86Br2 and a molecular weight of 1675.80 g/mol. Its IUPAC name is 9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene.

Molecular Properties

Compound Name9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene
PubChem CID160689526
Molecular FormulaC119H86Br2
Molecular Weight1675.80 g/mol
Exact Mass1672.51
IUPAC Name9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene
SMILESBrc1c2ccccc2cc2ccccc12.Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6c7ccccc7c(-c7ccc(C)cc7)c7ccccc67)ccc4-5)cc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(Br)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C63H46.C21H15Br.C21H16.C14H9Br/c1-39-21-25-42(26-22-39)59-49-13-5-7-15-51(49)61(52-16-8-6-14-50(52)59)44-31-29-41(30-32-44)45-33-35-47-48-36-34-46(38-58(48)63(3,4)57(47)37-45)62-55-19-11-9-17-53(55)60(43-27-23-40(2)24-28-43)54-18-10-12-20-56(54)62;1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21(22)19-9-5-3-7-17(19)20;1-15-10-12-16(13-11-15)21-19-8-4-2-6-17(19)14-18-7-3-5-9-20(18)21;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h5-38H,1-4H3;2-13H,1H3;2-14H,1H3;1-9H
InChIKeyRPFLXNCYWRUMFC-UHFFFAOYSA-N
XLogP35.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001675.80
LogP ≤ 535.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene with MolForge

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Related Compounds

9-[7-(7-anthracen-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracene
CID 58905940
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
9-[4-(9,9-dimethyl-7-phenylfluoren-2-yl)phenyl]-10-naphthalen-2-ylanthracene
CID 59725436
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
CID 143227241
anthracen-9-ylboronic acid;9-(4-anthracen-9-ylphenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-bromo-10-[4-[10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]anthracene;9-(4-bromophenyl)-10-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9-(9,9-dimethylfluoren-2-yl)-10-[4-[10-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]anthracene;phenylboronic acid
CID 159688362
14-(9,9-dimethylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 123741068
8,8,13,13-tetramethyl-5,16-bis[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]hexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59182422
9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-10-(4-methylphenyl)anthracene
CID 142701707
10-anthracen-9-yl-9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanthracene
CID 59196658
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310

Frequently Asked Questions

What is the IUPAC name of 9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene?
The IUPAC name of 9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene (CID 160689526) is 9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene.
What is the SMILES notation for 9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene?
The canonical SMILES for 9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene is Brc1c2ccccc2cc2ccccc12.Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6c7ccccc7c(-c7ccc(C)cc7)c7ccccc67)ccc4-5)cc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(Br)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of 9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene?
The InChIKey is RPFLXNCYWRUMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46.C21H15Br.C21H16.C14H9Br/c1-39-21-25-42(26-22-39)59-49-13-5-7-15-51(49)61(52-16-8-6-14-50(52)59)44-31-29-41(30-32-44)45-33-35-47-48-36-34-46(38-58(48)63(3,4)57(47)37-45)62-55-19-11-9-17-53(55)60(43-27-23-40(2)24-28-43)54-18-10-12-20-56(54)62;1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21(22)19-9-5-3-7-17(19)20;1-15-10-12-16(13-11-15)21-19-8-4-2-6-17(19)14-18-7-3-5-9-20(18)21;15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h5-38H,1-4H3;2-13H,1H3;2-14H,1H3;1-9H.
What are the key properties of 9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene?
9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene has a molecular weight of 1675.80 g/mol, XLogP of 35.01, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromoanthracene;9-bromo-10-(4-methylphenyl)anthracene;9-[4-[9,9-dimethyl-7-[10-(4-methylphenyl)anthracen-9-yl]fluoren-2-yl]phenyl]-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)anthracene is sourced from PubChem (CID 160689526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).