7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine

C258H174N6S6 — CID 162086715

About 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine

7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine (PubChem CID 162086715) has the molecular formula C258H174N6S6 and a molecular weight of 3550.67 g/mol. Its IUPAC name is 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine.

Molecular Properties

• Compound Name: 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
• PubChem CID: 162086715
• Molecular Formula: C258H174N6S6
• Molecular Weight: 3550.67 g/mol
• Exact Mass: 3547.21
• IUPAC Name: 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
• SMILES: Cc1cccc(C)c1N(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccc2c(c1)sc1cc3cc4c(cc3cc12)sc1cc(N(c2cccc(C3(c5ccccc5)c5ccccc5-c5ccccc53)c2)c2c(C)cccc2C)ccc14.Cc1cccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)sc2cc4cc5c(cc4cc23)sc2cc(N(c3cccc(C)c3)c3cccc(C4(c6ccccc6)c6ccccc6-c6ccccc64)c3)ccc25)c1.c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)sc2cc4cc5c(cc4cc23)sc2cc(N(c3ccccc3)c3cccc(C4(c6ccccc6)c6ccccc6-c6ccccc64)c3)ccc25)cc1
• InChI: InChI=1S/C88H62N2S2.C86H58N2S2.C84H54N2S2/c1-55-23-19-24-56(2)85(55)89(65-33-21-31-63(51-65)87(61-27-7-5-8-28-61)77-39-15-11-35-69(77)70-36-12-16-40-78(70)87)67-43-45-73-75-47-59-50-82-76(48-60(59)49-81(75)91-83(73)53-67)74-46-44-68(54-84(74)92-82)90(86-57(3)25-20-26-58(86)4)66-34-22-32-64(52-66)88(62-29-9-6-10-30-62)79-41-17-13-37-71(79)72-38-14-18-42-80(72)88;1-55-21-17-29-63(45-55)87(65-31-19-27-61(51-65)85(59-23-5-3-6-24-59)77-37-13-9-33-69(77)70-34-10-14-38-78(70)85)67-41-43-73-75-47-57-50-82-76(48-58(57)49-81(75)89-83(73)53-67)74-44-42-68(54-84(74)90-82)88(64-30-18-22-56(2)46-64)66-32-20-28-62(52-66)86(60-25-7-4-8-26-60)79-39-15-11-35-71(79)72-36-12-16-40-80(72)86;1-5-23-57(24-6-1)83(75-39-17-13-35-67(75)68-36-14-18-40-76(68)83)59-27-21-33-63(51-59)85(61-29-9-3-10-30-61)65-43-45-71-73-47-55-50-80-74(48-56(55)49-79(73)87-81(71)53-65)72-46-44-66(54-82(72)88-80)86(62-31-11-4-12-32-62)64-34-22-28-60(52-64)84(58-25-7-2-8-26-58)77-41-19-15-37-69(77)70-38-16-20-42-78(70)84/h5-54H,1-4H3;3-54H,1-2H3;1-54H
• InChIKey: ZDBGRMXFSANDIC-UHFFFAOYSA-N
• XLogP: 71.57
• TPSA: 19.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 270
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3550.67
LogP ≤ 5	71.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine?

The IUPAC name of 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine (CID 162086715) is 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine.

What is the SMILES notation for 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine?

The canonical SMILES for 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine is Cc1cccc(C)c1N(c1cccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)c1)c1ccc2c(c1)sc1cc3cc4c(cc3cc12)sc1cc(N(c2cccc(C3(c5ccccc5)c5ccccc5-c5ccccc53)c2)c2c(C)cccc2C)ccc14.Cc1cccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)sc2cc4cc5c(cc4cc23)sc2cc(N(c3cccc(C)c3)c3cccc(C4(c6ccccc6)c6ccccc6-c6ccccc64)c3)ccc25)c1.c1ccc(N(c2cccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)c2)c2ccc3c(c2)sc2cc4cc5c(cc4cc23)sc2cc(N(c3ccccc3)c3cccc(C4(c6ccccc6)c6ccccc6-c6ccccc64)c3)ccc25)cc1.

What is the InChIKey of 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine?

The InChIKey is ZDBGRMXFSANDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H62N2S2.C86H58N2S2.C84H54N2S2/c1-55-23-19-24-56(2)85(55)89(65-33-21-31-63(51-65)87(61-27-7-5-8-28-61)77-39-15-11-35-69(77)70-36-12-16-40-78(70)87)67-43-45-73-75-47-59-50-82-76(48-60(59)49-81(75)91-83(73)53-67)74-46-44-68(54-84(74)92-82)90(86-57(3)25-20-26-58(86)4)66-34-22-32-64(52-66)88(62-29-9-6-10-30-62)79-41-17-13-37-71(79)72-38-14-18-42-80(72)88;1-55-21-17-29-63(45-55)87(65-31-19-27-61(51-65)85(59-23-5-3-6-24-59)77-37-13-9-33-69(77)70-34-10-14-38-78(70)85)67-41-43-73-75-47-57-50-82-76(48-58(57)49-81(75)89-83(73)53-67)74-44-42-68(54-84(74)90-82)88(64-30-18-22-56(2)46-64)66-32-20-28-62(52-66)86(60-25-7-4-8-26-60)79-39-15-11-35-71(79)72-36-12-16-40-80(72)86;1-5-23-57(24-6-1)83(75-39-17-13-35-67(75)68-36-14-18-40-76(68)83)59-27-21-33-63(51-59)85(61-29-9-3-10-30-61)65-43-45-71-73-47-55-50-80-74(48-56(55)49-79(73)87-81(71)53-65)72-46-44-66(54-82(72)88-80)86(62-31-11-4-12-32-62)64-34-22-28-60(52-64)84(58-25-7-2-8-26-58)77-41-19-15-37-69(77)70-38-16-20-42-78(70)84/h5-54H,1-4H3;3-54H,1-2H3;1-54H.

What are the key properties of 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine?

7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine has a molecular weight of 3550.67 g/mol, XLogP of 71.57, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N,19-N-bis(2,6-dimethylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-bis(3-methylphenyl)-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine;7-N,19-N-diphenyl-7-N,19-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine is sourced from PubChem (CID 162086715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).