9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole

C208H192N8S — CID 102527375

IUPAC9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4c(c3)C(CCCCCCn3c5ccccc5c5ccccc53)(CCCCCCn3c5ccccc5c5ccccc53)c3cc(-c5ccc6c(c5)sc5cc(-c7ccc8c(c7)C(CCCCCCn7c9ccccc9c9ccccc97)(CCCCCCn7c9ccccc9c9ccccc97)c7cc(-c9ccc%10c(c9)C(CCCCCCn9c%11ccccc%11c%11ccccc%119)(CCCCCCn9c%11ccccc%11c%11ccccc%119)c9ccccc9-%10)ccc7-8)ccc56)ccc3-4)cc1C2(CCCCCCn1c2ccccc2c2ccccc21)CCCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C208H192N8S/c1(9-61-129-209-187-89-37-19-71-161(187)162-72-20-38-90-188(162)209)53-121-205(122-54-2-10-62-130-210-189-91-39-21-73-163(189)164-74-22-40-92-190(164)210)179-87-35-17-69-153(179)155-113-105-145(137-181(155)205)147-107-115-157-159-117-109-149(141-185(159)207(183(157)139-147,125-57-5-13-65-133-213-195-97-45-27-79-169(195)170-80-28-46-98-196(170)213)126-58-6-14-66-134-214-197-99-47-29-81-171(197)172-82-30-48-100-198(172)214)151-111-119-177-178-120-112-152(144-204(178)217-203(177)143-151)150-110-118-160-158-116-108-148(140-184(158)208(186(160)142-150,127-59-7-15-67-135-215-199-101-49-31-83-173(199)174-84-32-50-102-200(174)215)128-60-8-16-68-136-216-201-103-51-33-85-175(201)176-86-34-52-104-202(176)216)146-106-114-156-154-70-18-36-88-180(154)206(182(156)138-146,123-55-3-11-63-131-211-191-93-41-23-75-165(191)166-76-24-42-94-192(166)211)124-56-4-12-64-132-212-193-95-43-25-77-167(193)168-78-26-44-96-194(168)212/h17-52,69-120,137-144H,1-16,53-68,121-136H2
InChIKeyQGKURPIMTLCNMP-UHFFFAOYSA-N
MW2835.95 g/mol
LogP57.86
Rot. Bonds60

About 9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole

9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole (PubChem CID 102527375) has the molecular formula C208H192N8S and a molecular weight of 2835.95 g/mol. Its IUPAC name is 9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole.

Molecular Properties

Compound Name9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole
PubChem CID102527375
Molecular FormulaC208H192N8S
Molecular Weight2835.95 g/mol
Exact Mass2833.50
IUPAC Name9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole
SMILESc1ccc2c(c1)-c1ccc(-c3ccc4c(c3)C(CCCCCCn3c5ccccc5c5ccccc53)(CCCCCCn3c5ccccc5c5ccccc53)c3cc(-c5ccc6c(c5)sc5cc(-c7ccc8c(c7)C(CCCCCCn7c9ccccc9c9ccccc97)(CCCCCCn7c9ccccc9c9ccccc97)c7cc(-c9ccc%10c(c9)C(CCCCCCn9c%11ccccc%11c%11ccccc%119)(CCCCCCn9c%11ccccc%11c%11ccccc%119)c9ccccc9-%10)ccc7-8)ccc56)ccc3-4)cc1C2(CCCCCCn1c2ccccc2c2ccccc21)CCCCCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C208H192N8S/c1(9-61-129-209-187-89-37-19-71-161(187)162-72-20-38-90-188(162)209)53-121-205(122-54-2-10-62-130-210-189-91-39-21-73-163(189)164-74-22-40-92-190(164)210)179-87-35-17-69-153(179)155-113-105-145(137-181(155)205)147-107-115-157-159-117-109-149(141-185(159)207(183(157)139-147,125-57-5-13-65-133-213-195-97-45-27-79-169(195)170-80-28-46-98-196(170)213)126-58-6-14-66-134-214-197-99-47-29-81-171(197)172-82-30-48-100-198(172)214)151-111-119-177-178-120-112-152(144-204(178)217-203(177)143-151)150-110-118-160-158-116-108-148(140-184(158)208(186(160)142-150,127-59-7-15-67-135-215-199-101-49-31-83-173(199)174-84-32-50-102-200(174)215)128-60-8-16-68-136-216-201-103-51-33-85-175(201)176-86-34-52-104-202(176)216)146-106-114-156-154-70-18-36-88-180(154)206(182(156)138-146,123-55-3-11-63-131-211-191-93-41-23-75-165(191)166-76-24-42-94-192(166)211)124-56-4-12-64-132-212-193-95-43-25-77-167(193)168-78-26-44-96-194(168)212/h17-52,69-120,137-144H,1-16,53-68,121-136H2
InChIKeyQGKURPIMTLCNMP-UHFFFAOYSA-N
XLogP57.86
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds60
Heavy Atoms217
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002835.95
LogP ≤ 557.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole with MolForge

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Related Compounds

3-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-1,10-phenanthroline
CID 102473823
3-[1-(9,9-dihexylfluoren-2-yl)ethenyl]-9-hexylcarbazole
CID 174775748
3-(9,9-dimethylfluoren-2-yl)-7-[4-[30-[4-[7-(9,9-dimethylfluoren-2-yl)dibenzothiophen-3-yl]phenyl]-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl]phenyl]dibenzothiophene
CID 146593510
5,5,15,25,25-pentahexyl-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6,8,10,13,16,18(26),19,21,23-dodecaene
CID 102171788
methane;2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)-9-octylcarbazole
CID 158208152
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2,5-bis(9,9-dioctylfluoren-2-yl)thiophene
CID 122383258
9-[5-[7-(5-carbazol-9-ylthiophen-2-yl)-9,9-dihexylfluoren-2-yl]thiophen-2-yl]carbazole
CID 102154441
2,5-bis[5-(9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophene
CID 71413070
2-(9,9-dihexylfluoren-2-yl)-5-[5-[5-[5-[5-[5-(9,9-dihexylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102074609

Frequently Asked Questions

What is the IUPAC name of 9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole?
The IUPAC name of 9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole (CID 102527375) is 9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole.
What is the SMILES notation for 9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole?
The canonical SMILES for 9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole is c1ccc2c(c1)-c1ccc(-c3ccc4c(c3)C(CCCCCCn3c5ccccc5c5ccccc53)(CCCCCCn3c5ccccc5c5ccccc53)c3cc(-c5ccc6c(c5)sc5cc(-c7ccc8c(c7)C(CCCCCCn7c9ccccc9c9ccccc97)(CCCCCCn7c9ccccc9c9ccccc97)c7cc(-c9ccc%10c(c9)C(CCCCCCn9c%11ccccc%11c%11ccccc%119)(CCCCCCn9c%11ccccc%11c%11ccccc%119)c9ccccc9-%10)ccc7-8)ccc56)ccc3-4)cc1C2(CCCCCCn1c2ccccc2c2ccccc21)CCCCCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole?
The InChIKey is QGKURPIMTLCNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C208H192N8S/c1(9-61-129-209-187-89-37-19-71-161(187)162-72-20-38-90-188(162)209)53-121-205(122-54-2-10-62-130-210-189-91-39-21-73-163(189)164-74-22-40-92-190(164)210)179-87-35-17-69-153(179)155-113-105-145(137-181(155)205)147-107-115-157-159-117-109-149(141-185(159)207(183(157)139-147,125-57-5-13-65-133-213-195-97-45-27-79-169(195)170-80-28-46-98-196(170)213)126-58-6-14-66-134-214-197-99-47-29-81-171(197)172-82-30-48-100-198(172)214)151-111-119-177-178-120-112-152(144-204(178)217-203(177)143-151)150-110-118-160-158-116-108-148(140-184(158)208(186(160)142-150,127-59-7-15-67-135-215-199-101-49-31-83-173(199)174-84-32-50-102-200(174)215)128-60-8-16-68-136-216-201-103-51-33-85-175(201)176-86-34-52-104-202(176)216)146-106-114-156-154-70-18-36-88-180(154)206(182(156)138-146,123-55-3-11-63-131-211-191-93-41-23-75-165(191)166-76-24-42-94-192(166)211)124-56-4-12-64-132-212-193-95-43-25-77-167(193)168-78-26-44-96-194(168)212/h17-52,69-120,137-144H,1-16,53-68,121-136H2.
What are the key properties of 9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole?
9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole has a molecular weight of 2835.95 g/mol, XLogP of 57.86, 60 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[2-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-7-[7-[7-[9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]-9,9-bis(6-carbazol-9-ylhexyl)fluoren-2-yl]dibenzothiophen-3-yl]-9-(6-carbazol-9-ylhexyl)fluoren-9-yl]hexyl]carbazole is sourced from PubChem (CID 102527375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).