7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran

C171H162N2O2 — CID 161339997

IUPAC7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran
SMILESCOc1cc2c(cc1C)oc1cc(C)c(C)cc12.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C)ccc24)-c2ccc(C)c4cccc-3c24)c1.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C)ccc24)-c2cccc4c(C)ccc-3c24)c1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1
InChIInChI=1S/C50H56N2.2C38H32.C29H26.C16H16O2/c1-33-13-21-43(22-14-33)51(47-35(3)29-41(30-36(47)4)49(7,8)9)45-25-17-39(18-26-45)40-19-27-46(28-20-40)52(44-23-15-34(2)16-24-44)48-37(5)31-42(32-38(48)6)50(10,11)12;1-21-10-12-30-33(20-21)35(28-18-24(4)15-25(5)19-28)37-31-9-7-8-29-26(6)11-13-32(36(29)31)38(37)34(30)27-16-22(2)14-23(3)17-27;1-21-10-12-30-33(20-21)35(28-18-24(4)15-25(5)19-28)38-32-13-11-26(6)29-8-7-9-31(36(29)32)37(38)34(30)27-16-22(2)14-23(3)17-27;1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-9-5-12-13-8-14(17-4)11(3)7-16(13)18-15(12)6-10(9)2/h13-32H,1-12H3;2*7-20H,1-6H3;5-18H,1-4H3;5-8H,1-4H3
InChIKeyVMNPRGKAKLFGOO-UHFFFAOYSA-N
MW2277.19 g/mol
LogP48.19
Rot. Bonds14

About 7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran

7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran (PubChem CID 161339997) has the molecular formula C171H162N2O2 and a molecular weight of 2277.19 g/mol. Its IUPAC name is 7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran.

Molecular Properties

Compound Name7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran
PubChem CID161339997
Molecular FormulaC171H162N2O2
Molecular Weight2277.19 g/mol
Exact Mass2275.26
IUPAC Name7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran
SMILESCOc1cc2c(cc1C)oc1cc(C)c(C)cc12.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C)ccc24)-c2ccc(C)c4cccc-3c24)c1.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C)ccc24)-c2cccc4c(C)ccc-3c24)c1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1
InChIInChI=1S/C50H56N2.2C38H32.C29H26.C16H16O2/c1-33-13-21-43(22-14-33)51(47-35(3)29-41(30-36(47)4)49(7,8)9)45-25-17-39(18-26-45)40-19-27-46(28-20-40)52(44-23-15-34(2)16-24-44)48-37(5)31-42(32-38(48)6)50(10,11)12;1-21-10-12-30-33(20-21)35(28-18-24(4)15-25(5)19-28)37-31-9-7-8-29-26(6)11-13-32(36(29)31)38(37)34(30)27-16-22(2)14-23(3)17-27;1-21-10-12-30-33(20-21)35(28-18-24(4)15-25(5)19-28)38-32-13-11-26(6)29-8-7-9-31(36(29)32)37(38)34(30)27-16-22(2)14-23(3)17-27;1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-9-5-12-13-8-14(17-4)11(3)7-16(13)18-15(12)6-10(9)2/h13-32H,1-12H3;2*7-20H,1-6H3;5-18H,1-4H3;5-8H,1-4H3
InChIKeyVMNPRGKAKLFGOO-UHFFFAOYSA-N
XLogP48.19
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002277.19
LogP ≤ 548.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran with MolForge

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Related Compounds

1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-1-N-[4-(4-tert-butylphenyl)phenyl]-4-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
CID 59480578
1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N-(4-tert-butylphenyl)-1-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]benzene-1,4-diamine
CID 59480532
4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;9,9-bis(3,5-dimethylphenyl)-2,7-dimethylfluorene;(1R,14R)-15-butyl-4-N,11-N-bis(4-tert-butyl-2,6-dimethylphenyl)-4-N,11-N-bis(4-methylphenyl)pentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-4,11-diamine;2,8-dimethoxy-3,7-dimethyldibenzofuran;1,2,4,5-tetramethylbenzene
CID 160739085
7,12-bis(4-methoxyphenyl)-3,9-dimethylbenzo[k]fluoranthene
CID 71142914
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline;N-[4-[4-[4-[4-(4-tert-butyl-N-naphthalen-2-ylanilino)phenyl]-N-[4-[2,7-dimethyl-9-(4-methylphenyl)fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)naphthalen-2-amine
CID 159675939
4-tert-butyl-N-[4-[4-[N-(4-tert-butyl-2,6-dimethylphenyl)-4-[7-methyl-9,9-bis(4-octylphenyl)fluoren-2-yl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 88862267
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline
CID 140553755
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline
CID 140553747
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(2,6-dimethyl-4-phenylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-methoxyphenyl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 165011248
3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
CID 177262564
4-methyl-N-(4-methylphenyl)-N-[4-[9,19,22,22-tetramethyl-12-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-12-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl]phenyl]aniline
CID 90244035
N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 177287521

Frequently Asked Questions

What is the IUPAC name of 7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran?
The IUPAC name of 7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran (CID 161339997) is 7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran.
What is the SMILES notation for 7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran?
The canonical SMILES for 7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran is COc1cc2c(cc1C)oc1cc(C)c(C)cc12.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C)ccc24)-c2ccc(C)c4cccc-3c24)c1.Cc1cc(C)cc(-c2c3c(c(-c4cc(C)cc(C)c4)c4cc(C)ccc24)-c2cccc4c(C)ccc-3c24)c1.Cc1ccc(C2(c3ccc(C)cc3)c3cc(C)ccc3-c3ccc(C)cc32)cc1.Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.
What is the InChIKey of 7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran?
The InChIKey is VMNPRGKAKLFGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H56N2.2C38H32.C29H26.C16H16O2/c1-33-13-21-43(22-14-33)51(47-35(3)29-41(30-36(47)4)49(7,8)9)45-25-17-39(18-26-45)40-19-27-46(28-20-40)52(44-23-15-34(2)16-24-44)48-37(5)31-42(32-38(48)6)50(10,11)12;1-21-10-12-30-33(20-21)35(28-18-24(4)15-25(5)19-28)37-31-9-7-8-29-26(6)11-13-32(36(29)31)38(37)34(30)27-16-22(2)14-23(3)17-27;1-21-10-12-30-33(20-21)35(28-18-24(4)15-25(5)19-28)38-32-13-11-26(6)29-8-7-9-31(36(29)32)37(38)34(30)27-16-22(2)14-23(3)17-27;1-19-5-11-23(12-6-19)29(24-13-7-20(2)8-14-24)27-17-21(3)9-15-25(27)26-16-10-22(4)18-28(26)29;1-9-5-12-13-8-14(17-4)11(3)7-16(13)18-15(12)6-10(9)2/h13-32H,1-12H3;2*7-20H,1-6H3;5-18H,1-4H3;5-8H,1-4H3.
What are the key properties of 7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran?
7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran has a molecular weight of 2277.19 g/mol, XLogP of 48.19, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(3,5-dimethylphenyl)-3,9-dimethylbenzo[k]fluoranthene;7,12-bis(3,5-dimethylphenyl)-4,9-dimethylbenzo[k]fluoranthene;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2,7-dimethyl-9,9-bis(4-methylphenyl)fluorene;2-methoxy-3,7,8-trimethyldibenzofuran is sourced from PubChem (CID 161339997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).