9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole

C160H122N8 — CID 58151167

IUPAC9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole
SMILESCC(C)(C)c1ccc(-n2c3ccc(-c4cncc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc3c3cc(C4(c5ccc6c(c5)c5cc(C7(c8ccc9c(c8)c8cc(-c%10cncc(-c%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11)c%10)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccc(-c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)cc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C160H122N8/c1-155(2,3)109-55-73-121(74-56-109)167-147-77-53-103(107-85-105(95-161-97-107)101-49-69-117(70-50-101)163-143-41-25-17-33-127(143)128-34-18-26-42-144(128)163)87-131(147)135-91-113(61-81-151(135)167)159(139-37-21-13-29-123(139)124-30-14-22-38-140(124)159)115-63-83-153-137(93-115)138-94-116(64-84-154(138)166(153)120-67-47-100(48-68-120)99-45-65-119(66-46-99)165-149-79-59-111(157(7,8)9)89-133(149)134-90-112(158(10,11)12)60-80-150(134)165)160(141-39-23-15-31-125(141)126-32-16-24-40-142(126)160)114-62-82-152-136(92-114)132-88-104(54-78-148(132)168(152)122-75-57-110(58-76-122)156(4,5)6)108-86-106(96-162-98-108)102-51-71-118(72-52-102)164-145-43-27-19-35-129(145)130-36-20-28-44-146(130)164/h13-98H,1-12H3
InChIKeyWEISIPJKMVLWSR-UHFFFAOYSA-N
MW2156.79 g/mol
LogP41.31
Rot. Bonds15

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

9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole (PubChem CID 58151167) has the molecular formula C160H122N8 and a molecular weight of 2156.79 g/mol. Its IUPAC name is 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole.

Molecular Properties

Compound Name9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole
PubChem CID58151167
Molecular FormulaC160H122N8
Molecular Weight2156.79 g/mol
Exact Mass2154.98
IUPAC Name9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole
SMILESCC(C)(C)c1ccc(-n2c3ccc(-c4cncc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc3c3cc(C4(c5ccc6c(c5)c5cc(C7(c8ccc9c(c8)c8cc(-c%10cncc(-c%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11)c%10)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccc(-c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)cc5)c5ccccc5-c5ccccc54)ccc32)cc1
InChIInChI=1S/C160H122N8/c1-155(2,3)109-55-73-121(74-56-109)167-147-77-53-103(107-85-105(95-161-97-107)101-49-69-117(70-50-101)163-143-41-25-17-33-127(143)128-34-18-26-42-144(128)163)87-131(147)135-91-113(61-81-151(135)167)159(139-37-21-13-29-123(139)124-30-14-22-38-140(124)159)115-63-83-153-137(93-115)138-94-116(64-84-154(138)166(153)120-67-47-100(48-68-120)99-45-65-119(66-46-99)165-149-79-59-111(157(7,8)9)89-133(149)134-90-112(158(10,11)12)60-80-150(134)165)160(141-39-23-15-31-125(141)126-32-16-24-40-142(126)160)114-62-82-152-136(92-114)132-88-104(54-78-148(132)168(152)122-75-57-110(58-76-122)156(4,5)6)108-86-106(96-162-98-108)102-51-71-118(72-52-102)164-145-43-27-19-35-129(145)130-36-20-28-44-146(130)164/h13-98H,1-12H3
InChIKeyWEISIPJKMVLWSR-UHFFFAOYSA-N
XLogP41.31
TPSA55.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002156.79
LogP ≤ 541.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole?
The IUPAC name of 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole (CID 58151167) is 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole.
What is the SMILES notation for 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole?
The canonical SMILES for 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole is CC(C)(C)c1ccc(-n2c3ccc(-c4cncc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)cc3c3cc(C4(c5ccc6c(c5)c5cc(C7(c8ccc9c(c8)c8cc(-c%10cncc(-c%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11)c%10)ccc8n9-c8ccc(C(C)(C)C)cc8)c8ccccc8-c8ccccc87)ccc5n6-c5ccc(-c6ccc(-n7c8ccc(C(C)(C)C)cc8c8cc(C(C)(C)C)ccc87)cc6)cc5)c5ccccc5-c5ccccc54)ccc32)cc1.
What is the InChIKey of 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole?
The InChIKey is WEISIPJKMVLWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C160H122N8/c1-155(2,3)109-55-73-121(74-56-109)167-147-77-53-103(107-85-105(95-161-97-107)101-49-69-117(70-50-101)163-143-41-25-17-33-127(143)128-34-18-26-42-144(128)163)87-131(147)135-91-113(61-81-151(135)167)159(139-37-21-13-29-123(139)124-30-14-22-38-140(124)159)115-63-83-153-137(93-115)138-94-116(64-84-154(138)166(153)120-67-47-100(48-68-120)99-45-65-119(66-46-99)165-149-79-59-111(157(7,8)9)89-133(149)134-90-112(158(10,11)12)60-80-150(134)165)160(141-39-23-15-31-125(141)126-32-16-24-40-142(126)160)114-62-82-152-136(92-114)132-88-104(54-78-148(132)168(152)122-75-57-110(58-76-122)156(4,5)6)108-86-106(96-162-98-108)102-51-71-118(72-52-102)164-145-43-27-19-35-129(145)130-36-20-28-44-146(130)164/h13-98H,1-12H3.
What are the key properties of 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole?
9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole has a molecular weight of 2156.79 g/mol, XLogP of 41.31, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3,6-bis[9-[9-(4-tert-butylphenyl)-6-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]carbazol-3-yl]fluoren-9-yl]carbazol-9-yl]phenyl]phenyl]-3,6-ditert-butylcarbazole is sourced from PubChem (CID 58151167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).