N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine

C174H193N — CID 155323944

IUPACN,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c(C)cccc5N(c5cccc(C)c5-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)ccc5-6)c5cc6c(c7ccccc57)-c5cc7c(cc5C6(C)C)-c5ccccc5C7(CCCCCCCC)CCCCCCCC)ccc3-4)cc21
InChIInChI=1S/C174H193N/c1-19-25-31-37-43-57-97-172(98-58-44-38-32-26-20-2)147-74-56-53-69-130(147)143-113-154-144(114-159(143)172)166-142-71-50-49-70-141(142)163(115-160(166)171(154,17)18)175(161-75-63-65-116(7)164(161)126-85-95-135-133-89-79-120(105-150(133)169(13,14)152(135)111-126)124-83-93-139-137-91-81-122(118-77-87-131-128-67-51-54-72-145(128)167(9,10)148(131)103-118)107-155(137)173(157(139)109-124,99-59-45-39-33-27-21-3)100-60-46-40-34-28-22-4)162-76-64-66-117(8)165(162)127-86-96-136-134-90-80-121(106-151(134)170(15,16)153(136)112-127)125-84-94-140-138-92-82-123(119-78-88-132-129-68-52-55-73-146(129)168(11,12)149(132)104-119)108-156(138)174(158(140)110-125,101-61-47-41-35-29-23-5)102-62-48-42-36-30-24-6/h49-56,63-96,103-115H,19-48,57-62,97-102H2,1-18H3
InChIKeyMMXZWWRHFGCBIX-UHFFFAOYSA-N
MW2298.46 g/mol
LogP51.76
Rot. Bonds51

About N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine

N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine (PubChem CID 155323944) has the molecular formula C174H193N and a molecular weight of 2298.46 g/mol. Its IUPAC name is N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine.

Molecular Properties

Compound NameN,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
PubChem CID155323944
Molecular FormulaC174H193N
Molecular Weight2298.46 g/mol
Exact Mass2296.51
IUPAC NameN,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c(C)cccc5N(c5cccc(C)c5-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)ccc5-6)c5cc6c(c7ccccc57)-c5cc7c(cc5C6(C)C)-c5ccccc5C7(CCCCCCCC)CCCCCCCC)ccc3-4)cc21
InChIInChI=1S/C174H193N/c1-19-25-31-37-43-57-97-172(98-58-44-38-32-26-20-2)147-74-56-53-69-130(147)143-113-154-144(114-159(143)172)166-142-71-50-49-70-141(142)163(115-160(166)171(154,17)18)175(161-75-63-65-116(7)164(161)126-85-95-135-133-89-79-120(105-150(133)169(13,14)152(135)111-126)124-83-93-139-137-91-81-122(118-77-87-131-128-67-51-54-72-145(128)167(9,10)148(131)103-118)107-155(137)173(157(139)109-124,99-59-45-39-33-27-21-3)100-60-46-40-34-28-22-4)162-76-64-66-117(8)165(162)127-86-96-136-134-90-80-121(106-151(134)170(15,16)153(136)112-127)125-84-94-140-138-92-82-123(119-78-88-132-129-68-52-55-73-146(129)168(11,12)149(132)104-119)108-156(138)174(158(140)110-125,101-61-47-41-35-29-23-5)102-62-48-42-36-30-24-6/h49-56,63-96,103-115H,19-48,57-62,97-102H2,1-18H3
InChIKeyMMXZWWRHFGCBIX-UHFFFAOYSA-N
XLogP51.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds51
Heavy Atoms175
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002298.46
LogP ≤ 551.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine with MolForge

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Related Compounds

N-[2-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-N-[2-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
CID 155323817
19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[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-undecaene-9,19-diamine
CID 155643072
19-N-[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-N,9-N-bis[6-[3-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-19-N-[4-[7-[7-(9-heptyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[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-undecaene-9,19-diamine;methane;9-N,9-N,19-N,19-N-tetrakis[7-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-yl]-12,12,22,22-tetramethylhexacyclo[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-undecaene-9,19-diamine
CID 159968440
8,30-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-19-heptyl-5,5,33,33-tetramethyl-19-octylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 168838247
8,30-bis[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]phenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624104
8,30-bis[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-5,5,19,19,33,33-hexamethylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624078
8,30-bis[4-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-2,5-dimethylphenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624166
8-[4-(6,6-diheptyl-12,12-dioctylindeno[1,2-b]fluoren-2-yl)-2,5-dimethylphenyl]-30-[2,5-dimethyl-4-(6,6,12,12-tetraoctylindeno[1,2-b]fluoren-2-yl)phenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 168838146
8,30-bis[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624097
8,30-bis[4-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]-5,5,33,33-tetramethyl-19,19-dioctylnonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaene
CID 156624199
9-(9,9-dimethylfluoren-2-yl)-10-[10-(9,9-dipentylfluoren-2-yl)anthracen-9-yl]anthracene
CID 58782718
N,N-bis[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine
CID 155323844

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?
The IUPAC name of N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine (CID 155323944) is N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine.
What is the SMILES notation for N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?
The canonical SMILES for N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c(C)cccc5N(c5cccc(C)c5-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(CCCCCCCC)(CCCCCCCC)c7cc(-c9ccc%10c(c9)C(C)(C)c9ccccc9-%10)ccc7-8)ccc5-6)c5cc6c(c7ccccc57)-c5cc7c(cc5C6(C)C)-c5ccccc5C7(CCCCCCCC)CCCCCCCC)ccc3-4)cc21.
What is the InChIKey of N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?
The InChIKey is MMXZWWRHFGCBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C174H193N/c1-19-25-31-37-43-57-97-172(98-58-44-38-32-26-20-2)147-74-56-53-69-130(147)143-113-154-144(114-159(143)172)166-142-71-50-49-70-141(142)163(115-160(166)171(154,17)18)175(161-75-63-65-116(7)164(161)126-85-95-135-133-89-79-120(105-150(133)169(13,14)152(135)111-126)124-83-93-139-137-91-81-122(118-77-87-131-128-67-51-54-72-145(128)167(9,10)148(131)103-118)107-155(137)173(157(139)109-124,99-59-45-39-33-27-21-3)100-60-46-40-34-28-22-4)162-76-64-66-117(8)165(162)127-86-96-136-134-90-80-121(106-151(134)170(15,16)153(136)112-127)125-84-94-140-138-92-82-123(119-78-88-132-129-68-52-55-73-146(129)168(11,12)149(132)104-119)108-156(138)174(158(140)110-125,101-61-47-41-35-29-23-5)102-62-48-42-36-30-24-6/h49-56,63-96,103-115H,19-48,57-62,97-102H2,1-18H3.
What are the key properties of N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine?
N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine has a molecular weight of 2298.46 g/mol, XLogP of 51.76, 51 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-3-methylphenyl]-12,12-dimethyl-22,22-dioctylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-9-amine is sourced from PubChem (CID 155323944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).