3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole

C180H165N3 — CID 122376268

IUPAC3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3n4CC)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc4n5CC)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3n4CC)ccc2-1
InChIInChI=1S/C180H165N3/c1-10-19-25-49-97-175(98-50-26-20-11-2)157-109-121(115-79-91-163-142(103-115)145-106-118(82-94-166(145)181(163)16-7)124-73-85-136-133-61-37-46-70-154(133)178(160(136)112-124)148-64-40-31-55-127(148)128-56-32-41-65-149(128)178)76-88-139(157)169-172(175)170-140-89-77-122(116-80-92-164-143(104-116)146-107-119(83-95-167(146)182(164)17-8)125-74-86-137-134-62-38-47-71-155(134)179(161(137)113-125)150-66-42-33-57-129(150)130-58-34-43-67-151(130)179)110-158(140)176(99-51-27-21-12-3,100-52-28-22-13-4)174(170)171-141-90-78-123(111-159(141)177(173(169)171,101-53-29-23-14-5)102-54-30-24-15-6)117-81-93-165-144(105-117)147-108-120(84-96-168(147)183(165)18-9)126-75-87-138-135-63-39-48-72-156(135)180(162(138)114-126)152-68-44-35-59-131(152)132-60-36-45-69-153(132)180/h31-48,55-96,103-114H,10-30,49-54,97-102H2,1-9H3
InChIKeyHDJGMWVORWORRF-UHFFFAOYSA-N
MW2370.32 g/mol
LogP49.72
Rot. Bonds39

About 3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole

3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole (PubChem CID 122376268) has the molecular formula C180H165N3 and a molecular weight of 2370.32 g/mol. Its IUPAC name is 3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole.

Molecular Properties

Compound Name3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
PubChem CID122376268
Molecular FormulaC180H165N3
Molecular Weight2370.32 g/mol
Exact Mass2368.30
IUPAC Name3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3n4CC)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc4n5CC)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3n4CC)ccc2-1
InChIInChI=1S/C180H165N3/c1-10-19-25-49-97-175(98-50-26-20-11-2)157-109-121(115-79-91-163-142(103-115)145-106-118(82-94-166(145)181(163)16-7)124-73-85-136-133-61-37-46-70-154(133)178(160(136)112-124)148-64-40-31-55-127(148)128-56-32-41-65-149(128)178)76-88-139(157)169-172(175)170-140-89-77-122(116-80-92-164-143(104-116)146-107-119(83-95-167(146)182(164)17-8)125-74-86-137-134-62-38-47-71-155(134)179(161(137)113-125)150-66-42-33-57-129(150)130-58-34-43-67-151(130)179)110-158(140)176(99-51-27-21-12-3,100-52-28-22-13-4)174(170)171-141-90-78-123(111-159(141)177(173(169)171,101-53-29-23-14-5)102-54-30-24-15-6)117-81-93-165-144(105-117)147-108-120(84-96-168(147)183(165)18-9)126-75-87-138-135-63-39-48-72-156(135)180(162(138)114-126)152-68-44-35-59-131(152)132-60-36-45-69-153(132)180/h31-48,55-96,103-114H,10-30,49-54,97-102H2,1-9H3
InChIKeyHDJGMWVORWORRF-UHFFFAOYSA-N
XLogP49.72
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds39
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002370.32
LogP ≤ 549.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole with MolForge

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Related Compounds

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9-(9,9-dihexylfluoren-2-yl)anthracene
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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
9,9,18,18,27,27-hexahexyl-4,15,23-tris[4-[4-(4-phenylphenyl)phenyl]phenyl]heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 102513210
9,9,18,18,27,27-hexahexyl-4,15,23-tris[4-(4-phenylphenyl)phenyl]heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 102513212
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9-ethyl-3-[7-(9-ethylcarbazol-3-yl)-9,9-bis(2-ethylhexyl)fluoren-2-yl]carbazole
CID 101417664
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9-benzyl-3-[7'-(9-benzylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole;3-[7'-(9-benzylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-ethylcarbazole;3-[7'-(9-ethylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]-9-methylcarbazole;9-ethyl-3-[7'-(9-ethylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 157304765

Frequently Asked Questions

What is the IUPAC name of 3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The IUPAC name of 3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole (CID 122376268) is 3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole.
What is the SMILES notation for 3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The canonical SMILES for 3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole is CCCCCCC1(CCCCCC)c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3n4CC)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)ccc4n5CC)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3n4CC)ccc2-1.
What is the InChIKey of 3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The InChIKey is HDJGMWVORWORRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C180H165N3/c1-10-19-25-49-97-175(98-50-26-20-11-2)157-109-121(115-79-91-163-142(103-115)145-106-118(82-94-166(145)181(163)16-7)124-73-85-136-133-61-37-46-70-154(133)178(160(136)112-124)148-64-40-31-55-127(148)128-56-32-41-65-149(128)178)76-88-139(157)169-172(175)170-140-89-77-122(116-80-92-164-143(104-116)146-107-119(83-95-167(146)182(164)17-8)125-74-86-137-134-62-38-47-71-155(134)179(161(137)113-125)150-66-42-33-57-129(150)130-58-34-43-67-151(130)179)110-158(140)176(99-51-27-21-12-3,100-52-28-22-13-4)174(170)171-141-90-78-123(111-159(141)177(173(169)171,101-53-29-23-14-5)102-54-30-24-15-6)117-81-93-165-144(105-117)147-108-120(84-96-168(147)183(165)18-9)126-75-87-138-135-63-39-48-72-156(135)180(162(138)114-126)152-68-44-35-59-131(152)132-60-36-45-69-153(132)180/h31-48,55-96,103-114H,10-30,49-54,97-102H2,1-9H3.
What are the key properties of 3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole?
3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole has a molecular weight of 2370.32 g/mol, XLogP of 49.72, 39 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[15,24-bis[9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-yl]-9,9,18,18,27,27-hexahexyl-6-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaenyl]-9-ethyl-6-(9,9'-spirobi[fluorene]-2-yl)carbazole is sourced from PubChem (CID 122376268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).