9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole

C162H117N9 — CID 58151154

IUPAC9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)cc3c3cc(C4(c5ccc6c(c5)c5cc(C7(c8ccc9c(c8)c8cc(-c%10cncc(-c%11cc(-n%12c%13ccccc%13c%13ccccc%13%12)cc(-n%12c%13ccccc%13c%13ccccc%13%12)c%11)c%10)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccc(C(C)(C)C)cc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C162H117N9/c1-158(2,3)108-60-70-115(71-61-108)165-152-76-58-100(104-82-106(98-163-96-104)102-84-118(168-144-50-26-14-38-126(144)127-39-15-27-51-145(127)168)94-119(85-102)169-146-52-28-16-40-128(146)129-41-17-29-53-147(129)169)88-134(152)136-90-111(66-78-154(136)165)161(140-46-22-10-34-122(140)123-35-11-23-47-141(123)161)113-68-80-156-138(92-113)139-93-114(69-81-157(139)167(156)117-74-64-110(65-75-117)160(7,8)9)162(142-48-24-12-36-124(142)125-37-13-25-49-143(125)162)112-67-79-155-137(91-112)135-89-101(59-77-153(135)166(155)116-72-62-109(63-73-116)159(4,5)6)105-83-107(99-164-97-105)103-86-120(170-148-54-30-18-42-130(148)131-43-19-31-55-149(131)170)95-121(87-103)171-150-56-32-20-44-132(150)133-45-21-33-57-151(133)171/h10-99H,1-9H3
InChIKeyUPJNNVCUWUYQDC-UHFFFAOYSA-N
MW2189.78 g/mol
LogP41.44
Rot. Bonds15

About 9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole

9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole (PubChem CID 58151154) has the molecular formula C162H117N9 and a molecular weight of 2189.78 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole
PubChem CID58151154
Molecular FormulaC162H117N9
Molecular Weight2189.78 g/mol
Exact Mass2187.94
IUPAC Name9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)cc3c3cc(C4(c5ccc6c(c5)c5cc(C7(c8ccc9c(c8)c8cc(-c%10cncc(-c%11cc(-n%12c%13ccccc%13c%13ccccc%13%12)cc(-n%12c%13ccccc%13c%13ccccc%13%12)c%11)c%10)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccc(C(C)(C)C)cc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C162H117N9/c1-158(2,3)108-60-70-115(71-61-108)165-152-76-58-100(104-82-106(98-163-96-104)102-84-118(168-144-50-26-14-38-126(144)127-39-15-27-51-145(127)168)94-119(85-102)169-146-52-28-16-40-128(146)129-41-17-29-53-147(129)169)88-134(152)136-90-111(66-78-154(136)165)161(140-46-22-10-34-122(140)123-35-11-23-47-141(123)161)113-68-80-156-138(92-113)139-93-114(69-81-157(139)167(156)117-74-64-110(65-75-117)160(7,8)9)162(142-48-24-12-36-124(142)125-37-13-25-49-143(125)162)112-67-79-155-137(91-112)135-89-101(59-77-153(135)166(155)116-72-62-109(63-73-116)159(4,5)6)105-83-107(99-164-97-105)103-86-120(170-148-54-30-18-42-130(148)131-43-19-31-55-149(131)170)95-121(87-103)171-150-56-32-20-44-132(150)133-45-21-33-57-151(133)171/h10-99H,1-9H3
InChIKeyUPJNNVCUWUYQDC-UHFFFAOYSA-N
XLogP41.44
TPSA60.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms171
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002189.78
LogP ≤ 541.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole?
The IUPAC name of 9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole (CID 58151154) is 9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole.
What is the SMILES notation for 9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole?
The canonical SMILES for 9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole is CC(C)(C)c1ccc(-n2c3ccc(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)cc3c3cc(C4(c5ccc6c(c5)c5cc(C7(c8ccc9c(c8)c8cc(-c%10cncc(-c%11cc(-n%12c%13ccccc%13c%13ccccc%13%12)cc(-n%12c%13ccccc%13c%13ccccc%13%12)c%11)c%10)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccc(C(C)(C)C)cc5)c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole?
The InChIKey is UPJNNVCUWUYQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H117N9/c1-158(2,3)108-60-70-115(71-61-108)165-152-76-58-100(104-82-106(98-163-96-104)102-84-118(168-144-50-26-14-38-126(144)127-39-15-27-51-145(127)168)94-119(85-102)169-146-52-28-16-40-128(146)129-41-17-29-53-147(129)169)88-134(152)136-90-111(66-78-154(136)165)161(140-46-22-10-34-122(140)123-35-11-23-47-141(123)161)113-68-80-156-138(92-113)139-93-114(69-81-157(139)167(156)117-74-64-110(65-75-117)160(7,8)9)162(142-48-24-12-36-124(142)125-37-13-25-49-143(125)162)112-67-79-155-137(91-112)135-89-101(59-77-153(135)166(155)116-72-62-109(63-73-116)159(4,5)6)105-83-107(99-164-97-105)103-86-120(170-148-54-30-18-42-130(148)131-43-19-31-55-149(131)170)95-121(87-103)171-150-56-32-20-44-132(150)133-45-21-33-57-151(133)171/h10-99H,1-9H3.
What are the key properties of 9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole?
9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole has a molecular weight of 2189.78 g/mol, XLogP of 41.44, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-[3,5-di(carbazol-9-yl)phenyl]-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazole is sourced from PubChem (CID 58151154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).