9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene

C308H238 — CID 160808961

IUPAC9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene
SMILESC1=CC2C(c3ccccc3)=CC=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5ccc(-c6ccccc6)c6cccc-7c56)ccc4C(=C1)C32.C1=CC2C(c3ccccc3)=CC=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cccc6c(-c8ccccc8)ccc-7c56)ccc4C(=C1)C32.CC(C)(C)C1=CC2C=C(C(C)(C)C)C=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cc(C(C)(C)C)cc6cc(C(C)(C)C)cc-7c56)ccc4C(=C1)C32.CC(C)(C)C1=CC2C=C(C(C)(C)C)C=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cccc6c(-c8ccccc8)ccc-7c56)ccc4C(=C1)C32.CC(C)(C)c1cc2c3c(cc(C(C)(C)C)cc3c1)-c1c-2c(-c2ccccc2)c2ccc(-c3ccc4c(c3)C3=CC=CC5C(c6ccccc6)=CC=C4C35)cc2c1-c1ccccc1
InChIInChI=1S/C64H62.2C62H50.2C60H38/c1-61(2,3)43-27-41-28-44(62(4,5)6)34-52-49-31-39(23-25-47(49)51(33-43)55(41)52)40-24-26-48-50(32-40)58(38-21-17-14-18-22-38)60-54-36-46(64(10,11)12)30-42-29-45(63(7,8)9)35-53(56(42)54)59(60)57(48)37-19-15-13-16-20-37;1-61(2,3)43-31-42-32-44(62(4,5)6)36-54-51-33-40(25-27-46(51)53(35-43)55(42)54)41-26-28-48-52(34-41)57(39-21-14-9-15-22-39)59-49-24-16-23-47-45(37-17-10-7-11-18-37)29-30-50(58(47)49)60(59)56(48)38-19-12-8-13-20-38;1-61(2,3)43-31-42-32-44(62(4,5)6)36-54-55(42)53(35-43)59-56(38-19-12-8-13-20-38)50-28-26-41(34-52(50)57(60(54)59)39-21-14-9-15-22-39)40-25-27-46-49-30-29-45(37-17-10-7-11-18-37)47-23-16-24-48(58(47)49)51(46)33-40;1-5-15-37(16-6-1)43-31-33-49-53-35-41(27-29-45(53)48-25-13-23-46(43)57(48)49)42-28-30-50-54(36-42)56(40-21-11-4-12-22-40)59-51-26-14-24-47-44(38-17-7-2-8-18-38)32-34-52(58(47)51)60(59)55(50)39-19-9-3-10-20-39;1-5-15-37(16-6-1)43-31-33-49-53-35-41(27-29-45(53)48-25-13-23-46(43)57(48)49)42-28-30-50-54(36-42)56(40-21-11-4-12-22-40)60-52-34-32-44(38-17-7-2-8-18-38)47-24-14-26-51(58(47)52)59(60)55(50)39-19-9-3-10-20-39/h13-36,41,55H,1-12H3;7-36,42,55H,1-6H3;7-36,47,58H,1-6H3;2*1-36,46,57H
InChIKeySEBIZCJNCKJUCK-UHFFFAOYSA-N
MW3939.29 g/mol
LogP84.41
Rot. Bonds21

About 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene

9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene (PubChem CID 160808961) has the molecular formula C308H238 and a molecular weight of 3939.29 g/mol. Its IUPAC name is 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene.

Molecular Properties

Compound Name9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene
PubChem CID160808961
Molecular FormulaC308H238
Molecular Weight3939.29 g/mol
Exact Mass3935.86
IUPAC Name9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene
SMILESC1=CC2C(c3ccccc3)=CC=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5ccc(-c6ccccc6)c6cccc-7c56)ccc4C(=C1)C32.C1=CC2C(c3ccccc3)=CC=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cccc6c(-c8ccccc8)ccc-7c56)ccc4C(=C1)C32.CC(C)(C)C1=CC2C=C(C(C)(C)C)C=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cc(C(C)(C)C)cc6cc(C(C)(C)C)cc-7c56)ccc4C(=C1)C32.CC(C)(C)C1=CC2C=C(C(C)(C)C)C=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cccc6c(-c8ccccc8)ccc-7c56)ccc4C(=C1)C32.CC(C)(C)c1cc2c3c(cc(C(C)(C)C)cc3c1)-c1c-2c(-c2ccccc2)c2ccc(-c3ccc4c(c3)C3=CC=CC5C(c6ccccc6)=CC=C4C35)cc2c1-c1ccccc1
InChIInChI=1S/C64H62.2C62H50.2C60H38/c1-61(2,3)43-27-41-28-44(62(4,5)6)34-52-49-31-39(23-25-47(49)51(33-43)55(41)52)40-24-26-48-50(32-40)58(38-21-17-14-18-22-38)60-54-36-46(64(10,11)12)30-42-29-45(63(7,8)9)35-53(56(42)54)59(60)57(48)37-19-15-13-16-20-37;1-61(2,3)43-31-42-32-44(62(4,5)6)36-54-51-33-40(25-27-46(51)53(35-43)55(42)54)41-26-28-48-52(34-41)57(39-21-14-9-15-22-39)59-49-24-16-23-47-45(37-17-10-7-11-18-37)29-30-50(58(47)49)60(59)56(48)38-19-12-8-13-20-38;1-61(2,3)43-31-42-32-44(62(4,5)6)36-54-55(42)53(35-43)59-56(38-19-12-8-13-20-38)50-28-26-41(34-52(50)57(60(54)59)39-21-14-9-15-22-39)40-25-27-46-49-30-29-45(37-17-10-7-11-18-37)47-23-16-24-48(58(47)49)51(46)33-40;1-5-15-37(16-6-1)43-31-33-49-53-35-41(27-29-45(53)48-25-13-23-46(43)57(48)49)42-28-30-50-54(36-42)56(40-21-11-4-12-22-40)59-51-26-14-24-47-44(38-17-7-2-8-18-38)32-34-52(58(47)51)60(59)55(50)39-19-9-3-10-20-39;1-5-15-37(16-6-1)43-31-33-49-53-35-41(27-29-45(53)48-25-13-23-46(43)57(48)49)42-28-30-50-54(36-42)56(40-21-11-4-12-22-40)60-52-34-32-44(38-17-7-2-8-18-38)47-24-14-26-51(58(47)52)59(60)55(50)39-19-9-3-10-20-39/h13-36,41,55H,1-12H3;7-36,42,55H,1-6H3;7-36,47,58H,1-6H3;2*1-36,46,57H
InChIKeySEBIZCJNCKJUCK-UHFFFAOYSA-N
XLogP84.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms308
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003939.29
LogP ≤ 584.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene?
The IUPAC name of 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene (CID 160808961) is 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene.
What is the SMILES notation for 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene?
The canonical SMILES for 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene is C1=CC2C(c3ccccc3)=CC=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5ccc(-c6ccccc6)c6cccc-7c56)ccc4C(=C1)C32.C1=CC2C(c3ccccc3)=CC=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cccc6c(-c8ccccc8)ccc-7c56)ccc4C(=C1)C32.CC(C)(C)C1=CC2C=C(C(C)(C)C)C=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cc(C(C)(C)C)cc6cc(C(C)(C)C)cc-7c56)ccc4C(=C1)C32.CC(C)(C)C1=CC2C=C(C(C)(C)C)C=C3c4cc(-c5ccc6c(-c7ccccc7)c7c(c(-c8ccccc8)c6c5)-c5cccc6c(-c8ccccc8)ccc-7c56)ccc4C(=C1)C32.CC(C)(C)c1cc2c3c(cc(C(C)(C)C)cc3c1)-c1c-2c(-c2ccccc2)c2ccc(-c3ccc4c(c3)C3=CC=CC5C(c6ccccc6)=CC=C4C35)cc2c1-c1ccccc1.
What is the InChIKey of 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene?
The InChIKey is SEBIZCJNCKJUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H62.2C62H50.2C60H38/c1-61(2,3)43-27-41-28-44(62(4,5)6)34-52-49-31-39(23-25-47(49)51(33-43)55(41)52)40-24-26-48-50(32-40)58(38-21-17-14-18-22-38)60-54-36-46(64(10,11)12)30-42-29-45(63(7,8)9)35-53(56(42)54)59(60)57(48)37-19-15-13-16-20-37;1-61(2,3)43-31-42-32-44(62(4,5)6)36-54-51-33-40(25-27-46(51)53(35-43)55(42)54)41-26-28-48-52(34-41)57(39-21-14-9-15-22-39)59-49-24-16-23-47-45(37-17-10-7-11-18-37)29-30-50(58(47)49)60(59)56(48)38-19-12-8-13-20-38;1-61(2,3)43-31-42-32-44(62(4,5)6)36-54-55(42)53(35-43)59-56(38-19-12-8-13-20-38)50-28-26-41(34-52(50)57(60(54)59)39-21-14-9-15-22-39)40-25-27-46-49-30-29-45(37-17-10-7-11-18-37)47-23-16-24-48(58(47)49)51(46)33-40;1-5-15-37(16-6-1)43-31-33-49-53-35-41(27-29-45(53)48-25-13-23-46(43)57(48)49)42-28-30-50-54(36-42)56(40-21-11-4-12-22-40)59-51-26-14-24-47-44(38-17-7-2-8-18-38)32-34-52(58(47)51)60(59)55(50)39-19-9-3-10-20-39;1-5-15-37(16-6-1)43-31-33-49-53-35-41(27-29-45(53)48-25-13-23-46(43)57(48)49)42-28-30-50-54(36-42)56(40-21-11-4-12-22-40)60-52-34-32-44(38-17-7-2-8-18-38)47-24-14-26-51(58(47)52)59(60)55(50)39-19-9-3-10-20-39/h13-36,41,55H,1-12H3;7-36,42,55H,1-6H3;7-36,47,58H,1-6H3;2*1-36,46,57H.
What are the key properties of 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene?
9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene has a molecular weight of 3939.29 g/mol, XLogP of 84.41, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-3,7,12-triphenylbenzo[k]fluoranthene;2,5-ditert-butyl-9-(2,5-ditert-butyl-3a,10c-dihydrofluoranthen-8-yl)-7,12-diphenylbenzo[k]fluoranthene;2,5-ditert-butyl-7,12-diphenyl-9-(3-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;3,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene;4,7,12-triphenyl-9-(4-phenyl-3a,10c-dihydrofluoranthen-8-yl)benzo[k]fluoranthene is sourced from PubChem (CID 160808961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).