9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene

C178H122Br6 — CID 158119939

IUPAC9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
SMILESCc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C5(C)c6cc(Br)ccc6-c6ccc(Br)cc65)ccc24)-c2cccc4c(-c5ccc6ccccc6c5)ccc-3c24)c1.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C5c6cc(Br)ccc6-c6ccc(Br)cc65)ccc24)-c2ccc(-c4ccc5ccccc5c4)c4cccc-3c24)c1.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C5c6cc(Br)ccc6-c6ccc(Br)cc65)ccc24)-c2cccc4c(-c5ccc6ccccc6c5)ccc-3c24)c1
InChIInChI=1S/C60H42Br2.2C59H40Br2/c1-33-23-34(2)26-40(25-33)55-49-18-15-42(60(5)53-31-43(61)16-19-46(53)47-20-17-44(62)32-54(47)60)30-52(49)56(41-27-35(3)24-36(4)28-41)58-50-12-8-11-48-45(21-22-51(57(48)50)59(55)58)39-14-13-37-9-6-7-10-38(37)29-39;1-32-22-33(2)25-40(24-32)55-48-17-14-39(54-52-30-42(60)15-18-45(52)46-19-16-43(61)31-53(46)54)29-51(48)56(41-26-34(3)23-35(4)27-41)58-49-11-7-10-47-44(20-21-50(57(47)49)59(55)58)38-13-12-36-8-5-6-9-37(36)28-38;1-32-22-33(2)25-40(24-32)55-48-17-14-39(54-52-30-42(60)15-18-45(52)46-19-16-43(61)31-53(46)54)29-51(48)56(41-26-34(3)23-35(4)27-41)59-50-21-20-44(47-10-7-11-49(57(47)50)58(55)59)38-13-12-36-8-5-6-9-37(36)28-38/h6-32H,1-5H3;2*5-31,54H,1-4H3
InChIKeyFRMFILJSDYSQBD-UHFFFAOYSA-N
MW2740.36 g/mol
LogP53.32
Rot. Bonds12

About 9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene

9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene (PubChem CID 158119939) has the molecular formula C178H122Br6 and a molecular weight of 2740.36 g/mol. Its IUPAC name is 9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene.

Molecular Properties

Compound Name9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
PubChem CID158119939
Molecular FormulaC178H122Br6
Molecular Weight2740.36 g/mol
Exact Mass2732.46
IUPAC Name9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
SMILESCc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C5(C)c6cc(Br)ccc6-c6ccc(Br)cc65)ccc24)-c2cccc4c(-c5ccc6ccccc6c5)ccc-3c24)c1.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C5c6cc(Br)ccc6-c6ccc(Br)cc65)ccc24)-c2ccc(-c4ccc5ccccc5c4)c4cccc-3c24)c1.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C5c6cc(Br)ccc6-c6ccc(Br)cc65)ccc24)-c2cccc4c(-c5ccc6ccccc6c5)ccc-3c24)c1
InChIInChI=1S/C60H42Br2.2C59H40Br2/c1-33-23-34(2)26-40(25-33)55-49-18-15-42(60(5)53-31-43(61)16-19-46(53)47-20-17-44(62)32-54(47)60)30-52(49)56(41-27-35(3)24-36(4)28-41)58-50-12-8-11-48-45(21-22-51(57(48)50)59(55)58)39-14-13-37-9-6-7-10-38(37)29-39;1-32-22-33(2)25-40(24-32)55-48-17-14-39(54-52-30-42(60)15-18-45(52)46-19-16-43(61)31-53(46)54)29-51(48)56(41-26-34(3)23-35(4)27-41)58-49-11-7-10-47-44(20-21-50(57(47)49)59(55)58)38-13-12-36-8-5-6-9-37(36)28-38;1-32-22-33(2)25-40(24-32)55-48-17-14-39(54-52-30-42(60)15-18-45(52)46-19-16-43(61)31-53(46)54)29-51(48)56(41-26-34(3)23-35(4)27-41)59-50-21-20-44(47-10-7-11-49(57(47)50)58(55)59)38-13-12-36-8-5-6-9-37(36)28-38/h6-32H,1-5H3;2*5-31,54H,1-4H3
InChIKeyFRMFILJSDYSQBD-UHFFFAOYSA-N
XLogP53.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms184
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002740.36
LogP ≤ 553.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene with MolForge

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Related Compounds

4-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 89280570
3-[3,5-bis(4-tert-butylphenyl)phenyl]-9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 89280568
3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
CID 58988846
17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175330
7,12-bis(3,5-dimethylphenyl)-3,9-bis(3-methylphenyl)benzo[k]fluoranthene
CID 157207243
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
7,12-bis(4-methoxyphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene
CID 71105856
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
7-bromo-10,10-dimethyl-14,21-dinaphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 87380668
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073
1-[6-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-2-yl]pyrene
CID 59217278
21,21-dimethyl-19-(7-pyren-1-ylnaphthalen-2-yl)pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 145333784

Frequently Asked Questions

What is the IUPAC name of 9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene?
The IUPAC name of 9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene (CID 158119939) is 9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene.
What is the SMILES notation for 9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene?
The canonical SMILES for 9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene is Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C5(C)c6cc(Br)ccc6-c6ccc(Br)cc65)ccc24)-c2cccc4c(-c5ccc6ccccc6c5)ccc-3c24)c1.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C5c6cc(Br)ccc6-c6ccc(Br)cc65)ccc24)-c2ccc(-c4ccc5ccccc5c4)c4cccc-3c24)c1.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C5c6cc(Br)ccc6-c6ccc(Br)cc65)ccc24)-c2cccc4c(-c5ccc6ccccc6c5)ccc-3c24)c1.
What is the InChIKey of 9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene?
The InChIKey is FRMFILJSDYSQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42Br2.2C59H40Br2/c1-33-23-34(2)26-40(25-33)55-49-18-15-42(60(5)53-31-43(61)16-19-46(53)47-20-17-44(62)32-54(47)60)30-52(49)56(41-27-35(3)24-36(4)28-41)58-50-12-8-11-48-45(21-22-51(57(48)50)59(55)58)39-14-13-37-9-6-7-10-38(37)29-39;1-32-22-33(2)25-40(24-32)55-48-17-14-39(54-52-30-42(60)15-18-45(52)46-19-16-43(61)31-53(46)54)29-51(48)56(41-26-34(3)23-35(4)27-41)58-49-11-7-10-47-44(20-21-50(57(47)49)59(55)58)38-13-12-36-8-5-6-9-37(36)28-38;1-32-22-33(2)25-40(24-32)55-48-17-14-39(54-52-30-42(60)15-18-45(52)46-19-16-43(61)31-53(46)54)29-51(48)56(41-26-34(3)23-35(4)27-41)59-50-21-20-44(47-10-7-11-49(57(47)50)58(55)59)38-13-12-36-8-5-6-9-37(36)28-38/h6-32H,1-5H3;2*5-31,54H,1-4H3.
What are the key properties of 9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene?
9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene has a molecular weight of 2740.36 g/mol, XLogP of 53.32, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9H-fluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-4-naphthalen-2-ylbenzo[k]fluoranthene;9-(2,7-dibromo-9-methylfluoren-9-yl)-7,12-bis(3,5-dimethylphenyl)-3-naphthalen-2-ylbenzo[k]fluoranthene is sourced from PubChem (CID 158119939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).