3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine)

C207H189N9 — CID 158708477

IUPAC3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine)
SMILESCCCCC(CC)Cn1c2ccc(-c3cc(-c4ccc5c(c4)c4cc(C6(c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccc(C(C)(C)C)cc7)c7ccccc7-c7ccccc76)ccc4n5CC(CC)CCCC)cc(-c4ccc5c(c4)c4cc(C6(c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccc(C(C)(C)C)cc7)c7ccccc7-c7ccccc76)ccc4n5CC(CC)CCCC)c3)cc2c2cc(C3(c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccccc43)ccc21.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1
InChIInChI=1S/C189H168N6.3C6H7N/c1-16-22-46-121(19-4)118-190-172-91-67-130(109-154(172)160-112-139(79-97-175(160)190)187(166-61-40-34-55-148(166)149-56-35-41-62-167(149)187)142-82-100-181-163(115-142)157-106-127(124-49-28-25-29-50-124)70-94-178(157)193(181)145-85-73-136(74-86-145)184(7,8)9)133-103-134(131-68-92-173-155(110-131)161-113-140(80-98-176(161)191(173)119-122(20-5)47-23-17-2)188(168-63-42-36-57-150(168)151-58-37-43-64-169(151)188)143-83-101-182-164(116-143)158-107-128(125-51-30-26-31-52-125)71-95-179(158)194(182)146-87-75-137(76-88-146)185(10,11)12)105-135(104-133)132-69-93-174-156(111-132)162-114-141(81-99-177(162)192(174)120-123(21-6)48-24-18-3)189(170-65-44-38-59-152(170)153-60-39-45-66-171(153)189)144-84-102-183-165(117-144)159-108-129(126-53-32-27-33-54-126)72-96-180(159)195(183)147-89-77-138(78-90-147)186(13,14)15;3*1-6-4-2-3-5-7-6/h25-45,49-117,121-123H,16-24,46-48,118-120H2,1-15H3;3*2-5H,1H3
InChIKeyIIKOGCXZFLMYAZ-UHFFFAOYSA-N
MW2802.85 g/mol
LogP55.10
Rot. Bonds33

About 3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine)

3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine) (PubChem CID 158708477) has the molecular formula C207H189N9 and a molecular weight of 2802.85 g/mol. Its IUPAC name is 3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine).

Molecular Properties

Compound Name3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine)
PubChem CID158708477
Molecular FormulaC207H189N9
Molecular Weight2802.85 g/mol
Exact Mass2800.51
IUPAC Name3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine)
SMILESCCCCC(CC)Cn1c2ccc(-c3cc(-c4ccc5c(c4)c4cc(C6(c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccc(C(C)(C)C)cc7)c7ccccc7-c7ccccc76)ccc4n5CC(CC)CCCC)cc(-c4ccc5c(c4)c4cc(C6(c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccc(C(C)(C)C)cc7)c7ccccc7-c7ccccc76)ccc4n5CC(CC)CCCC)c3)cc2c2cc(C3(c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccccc43)ccc21.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1
InChIInChI=1S/C189H168N6.3C6H7N/c1-16-22-46-121(19-4)118-190-172-91-67-130(109-154(172)160-112-139(79-97-175(160)190)187(166-61-40-34-55-148(166)149-56-35-41-62-167(149)187)142-82-100-181-163(115-142)157-106-127(124-49-28-25-29-50-124)70-94-178(157)193(181)145-85-73-136(74-86-145)184(7,8)9)133-103-134(131-68-92-173-155(110-131)161-113-140(80-98-176(161)191(173)119-122(20-5)47-23-17-2)188(168-63-42-36-57-150(168)151-58-37-43-64-169(151)188)143-83-101-182-164(116-143)158-107-128(125-51-30-26-31-52-125)71-95-179(158)194(182)146-87-75-137(76-88-146)185(10,11)12)105-135(104-133)132-69-93-174-156(111-132)162-114-141(81-99-177(162)192(174)120-123(21-6)48-24-18-3)189(170-65-44-38-59-152(170)153-60-39-45-66-171(153)189)144-84-102-183-165(117-144)159-108-129(126-53-32-27-33-54-126)72-96-180(159)195(183)147-89-77-138(78-90-147)186(13,14)15;3*1-6-4-2-3-5-7-6/h25-45,49-117,121-123H,16-24,46-48,118-120H2,1-15H3;3*2-5H,1H3
InChIKeyIIKOGCXZFLMYAZ-UHFFFAOYSA-N
XLogP55.10
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds33
Heavy Atoms216
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002802.85
LogP ≤ 555.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine) with MolForge

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Related Compounds

3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole
CID 59561667
N-(4-tert-butylphenyl)-N-[4-[9-[9-(4-tert-butylphenyl)-6-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]phenyl]-4-[9-(2-ethylhexyl)carbazol-3-yl]aniline
CID 59404168
N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-[9-(2-ethylhexyl)carbazol-3-yl]anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59404159
3-[9-[9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]carbazol-3-yl]fluoren-9-yl]-9-(4-tert-butylphenyl)-6-phenylcarbazole
CID 59561645
tris(9-(3-carbazol-9-yl-5-methylphenyl)carbazole);4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]-N,N-bis[4-[9-(2-ethylhexyl)-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]aniline
CID 160900828
3,6-ditert-butyl-9-[4-[4-[3-[9-[9-(4-tert-butylphenyl)-6-methylcarbazol-3-yl]fluoren-9-yl]-6-[9-[9-(4-tert-butylphenyl)-6-(7-methyl-9,9-dioctylfluoren-2-yl)carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 59404178
N-(4-tert-butylphenyl)-4-[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]-N-[4-[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]phenyl]aniline
CID 58151189
3,6-ditert-butyl-9-[4-[9-[4-[9-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]phenyl]carbazole
CID 91177168
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
5-phenyl-8-[3-(9-phenylfluoren-9-yl)phenyl]pyrido[3,2-b]indole
CID 149073025
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine)?
The IUPAC name of 3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine) (CID 158708477) is 3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine).
What is the SMILES notation for 3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine)?
The canonical SMILES for 3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine) is CCCCC(CC)Cn1c2ccc(-c3cc(-c4ccc5c(c4)c4cc(C6(c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccc(C(C)(C)C)cc7)c7ccccc7-c7ccccc76)ccc4n5CC(CC)CCCC)cc(-c4ccc5c(c4)c4cc(C6(c7ccc8c(c7)c7cc(-c9ccccc9)ccc7n8-c7ccc(C(C)(C)C)cc7)c7ccccc7-c7ccccc76)ccc4n5CC(CC)CCCC)c3)cc2c2cc(C3(c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccccc43)ccc21.Cc1ccccn1.Cc1ccccn1.Cc1ccccn1.
What is the InChIKey of 3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine)?
The InChIKey is IIKOGCXZFLMYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C189H168N6.3C6H7N/c1-16-22-46-121(19-4)118-190-172-91-67-130(109-154(172)160-112-139(79-97-175(160)190)187(166-61-40-34-55-148(166)149-56-35-41-62-167(149)187)142-82-100-181-163(115-142)157-106-127(124-49-28-25-29-50-124)70-94-178(157)193(181)145-85-73-136(74-86-145)184(7,8)9)133-103-134(131-68-92-173-155(110-131)161-113-140(80-98-176(161)191(173)119-122(20-5)47-23-17-2)188(168-63-42-36-57-150(168)151-58-37-43-64-169(151)188)143-83-101-182-164(116-143)158-107-128(125-51-30-26-31-52-125)71-95-179(158)194(182)146-87-75-137(76-88-146)185(10,11)12)105-135(104-133)132-69-93-174-156(111-132)162-114-141(81-99-177(162)192(174)120-123(21-6)48-24-18-3)189(170-65-44-38-59-152(170)153-60-39-45-66-171(153)189)144-84-102-183-165(117-144)159-108-129(126-53-32-27-33-54-126)72-96-180(159)195(183)147-89-77-138(78-90-147)186(13,14)15;3*1-6-4-2-3-5-7-6/h25-45,49-117,121-123H,16-24,46-48,118-120H2,1-15H3;3*2-5H,1H3.
What are the key properties of 3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine)?
3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine) has a molecular weight of 2802.85 g/mol, XLogP of 55.10, 33 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazol-3-yl]phenyl]-6-[9-[9-(4-tert-butylphenyl)-6-phenylcarbazol-3-yl]fluoren-9-yl]-9-(2-ethylhexyl)carbazole;tris(2-methylpyridine) is sourced from PubChem (CID 158708477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).