15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine

C242H254N2O2S — CID 155761175

IUPAC15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6c8c(c9c(sc%10ccccc%109)c6-7)-c6ccc(N(c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11ccccc%11-%12)ccc9-%10)cc7)c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11ccccc%11-%12)ccc9-%10)c9c7oc7ccccc79)cc6C8(C)C)c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(CCCCCCCC)(CCCCCCCC)c9ccccc9-%10)ccc7-8)c7c6oc6ccccc67)cc5)ccc3-4)cc21
InChIInChI=1S/C242H254N2O2S/c1-21-29-37-45-53-75-137-239(138-76-54-46-38-30-22-2)200-90-68-61-83-179(200)191-125-107-167(151-214(191)239)163-103-121-185-183-119-101-161(145-204(183)233(9,10)206(185)147-163)159-97-113-173(114-98-159)243(218-135-133-177(223-197-87-65-72-94-220(197)245-230(218)223)171-111-129-189-187-123-105-165(149-208(187)235(13,14)210(189)155-171)169-109-127-193-181-85-63-70-92-202(181)241(216(193)153-169,141-79-57-49-41-33-25-5)142-80-58-50-42-34-26-6)175-117-131-195-212(157-175)237(17,18)228-225(195)226-199-89-67-74-96-222(199)247-232(226)227-196-132-118-176(158-213(196)238(19,20)229(227)228)244(174-115-99-160(100-116-174)162-102-120-184-186-122-104-164(148-207(186)234(11,12)205(184)146-162)168-108-126-192-180-84-62-69-91-201(180)240(215(192)152-168,139-77-55-47-39-31-23-3)140-78-56-48-40-32-24-4)219-136-134-178(224-198-88-66-73-95-221(198)246-231(219)224)172-112-130-190-188-124-106-166(150-209(188)236(15,16)211(190)156-172)170-110-128-194-182-86-64-71-93-203(182)242(217(194)154-170,143-81-59-51-43-35-27-7)144-82-60-52-44-36-28-8/h61-74,83-136,145-158H,21-60,75-82,137-144H2,1-20H3
InChIKeyRSUQQSKYXWQPDG-UHFFFAOYSA-N
MW3254.77 g/mol
LogP73.04
Rot. Bonds70

About 15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine

15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine (PubChem CID 155761175) has the molecular formula C242H254N2O2S and a molecular weight of 3254.77 g/mol. Its IUPAC name is 15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine.

Molecular Properties

Compound Name15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine
PubChem CID155761175
Molecular FormulaC242H254N2O2S
Molecular Weight3254.77 g/mol
Exact Mass3251.96
IUPAC Name15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6c8c(c9c(sc%10ccccc%109)c6-7)-c6ccc(N(c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11ccccc%11-%12)ccc9-%10)cc7)c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11ccccc%11-%12)ccc9-%10)c9c7oc7ccccc79)cc6C8(C)C)c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(CCCCCCCC)(CCCCCCCC)c9ccccc9-%10)ccc7-8)c7c6oc6ccccc67)cc5)ccc3-4)cc21
InChIInChI=1S/C242H254N2O2S/c1-21-29-37-45-53-75-137-239(138-76-54-46-38-30-22-2)200-90-68-61-83-179(200)191-125-107-167(151-214(191)239)163-103-121-185-183-119-101-161(145-204(183)233(9,10)206(185)147-163)159-97-113-173(114-98-159)243(218-135-133-177(223-197-87-65-72-94-220(197)245-230(218)223)171-111-129-189-187-123-105-165(149-208(187)235(13,14)210(189)155-171)169-109-127-193-181-85-63-70-92-202(181)241(216(193)153-169,141-79-57-49-41-33-25-5)142-80-58-50-42-34-26-6)175-117-131-195-212(157-175)237(17,18)228-225(195)226-199-89-67-74-96-222(199)247-232(226)227-196-132-118-176(158-213(196)238(19,20)229(227)228)244(174-115-99-160(100-116-174)162-102-120-184-186-122-104-164(148-207(186)234(11,12)205(184)146-162)168-108-126-192-180-84-62-69-91-201(180)240(215(192)152-168,139-77-55-47-39-31-23-3)140-78-56-48-40-32-24-4)219-136-134-178(224-198-88-66-73-95-221(198)246-231(219)224)172-112-130-190-188-124-106-166(150-209(188)236(15,16)211(190)156-172)170-110-128-194-182-86-64-71-93-203(182)242(217(194)154-170,143-81-59-51-43-35-27-7)144-82-60-52-44-36-28-8/h61-74,83-136,145-158H,21-60,75-82,137-144H2,1-20H3
InChIKeyRSUQQSKYXWQPDG-UHFFFAOYSA-N
XLogP73.04
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds70
Heavy Atoms247
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003254.77
LogP ≤ 573.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine?
The IUPAC name of 15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine (CID 155761175) is 15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine.
What is the SMILES notation for 15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine?
The canonical SMILES for 15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(N(c6ccc7c(c6)C(C)(C)c6c8c(c9c(sc%10ccccc%109)c6-7)-c6ccc(N(c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11ccccc%11-%12)ccc9-%10)cc7)c7ccc(-c9ccc%10c(c9)C(C)(C)c9cc(-c%11ccc%12c(c%11)C(CCCCCCCC)(CCCCCCCC)c%11ccccc%11-%12)ccc9-%10)c9c7oc7ccccc79)cc6C8(C)C)c6ccc(-c7ccc8c(c7)C(C)(C)c7cc(-c9ccc%10c(c9)C(CCCCCCCC)(CCCCCCCC)c9ccccc9-%10)ccc7-8)c7c6oc6ccccc67)cc5)ccc3-4)cc21.
What is the InChIKey of 15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine?
The InChIKey is RSUQQSKYXWQPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C242H254N2O2S/c1-21-29-37-45-53-75-137-239(138-76-54-46-38-30-22-2)200-90-68-61-83-179(200)191-125-107-167(151-214(191)239)163-103-121-185-183-119-101-161(145-204(183)233(9,10)206(185)147-163)159-97-113-173(114-98-159)243(218-135-133-177(223-197-87-65-72-94-220(197)245-230(218)223)171-111-129-189-187-123-105-165(149-208(187)235(13,14)210(189)155-171)169-109-127-193-181-85-63-70-92-202(181)241(216(193)153-169,141-79-57-49-41-33-25-5)142-80-58-50-42-34-26-6)175-117-131-195-212(157-175)237(17,18)228-225(195)226-199-89-67-74-96-222(199)247-232(226)227-196-132-118-176(158-213(196)238(19,20)229(227)228)244(174-115-99-160(100-116-174)162-102-120-184-186-122-104-164(148-207(186)234(11,12)205(184)146-162)168-108-126-192-180-84-62-69-91-201(180)240(215(192)152-168,139-77-55-47-39-31-23-3)140-78-56-48-40-32-24-4)219-136-134-178(224-198-88-66-73-95-221(198)246-231(219)224)172-112-130-190-188-124-106-166(150-209(188)236(15,16)211(190)156-172)170-110-128-194-182-86-64-71-93-203(182)242(217(194)154-170,143-81-59-51-43-35-27-7)144-82-60-52-44-36-28-8/h61-74,83-136,145-158H,21-60,75-82,137-144H2,1-20H3.
What are the key properties of 15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine?
15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine has a molecular weight of 3254.77 g/mol, XLogP of 73.04, 70 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-N,24-N-bis[1-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-4-yl]-15-N,24-N-bis[4-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-18,18,21,21-tetramethyl-9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine is sourced from PubChem (CID 155761175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).