2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole

C162H106N6 — CID 149206255

IUPAC2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
SMILESC1=CCC(c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccc(-c9cc(-c%10ccccc%10)cc(-c%10cccc(-c%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11)c%10)c9)cc8)c7c6)ccc54)cc3)cc(-c3cc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc(-c9cccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)c9)c8)cc7)cc65)cc4)c3)c2)C=C1
InChIInChI=1S/C162H106N6/c1-4-29-105(30-5-1)124-92-127(96-130(95-124)119-40-28-37-116(91-119)110-59-75-134(76-60-110)164-153-51-20-12-43-141(153)142-44-13-21-52-154(142)164)111-65-81-137(82-66-111)167-155-53-22-14-45-143(155)147-85-70-123(103-161(147)167)121-72-88-160-150(102-121)146-48-17-25-56-158(146)166(160)136-79-63-112(64-80-136)128-93-125(106-31-6-2-7-32-106)97-131(99-128)132-98-126(107-33-8-3-9-34-107)94-129(100-132)113-67-83-138(84-68-113)168-156-54-23-15-46-144(156)148-86-69-122(104-162(148)168)120-71-87-159-149(101-120)145-47-16-24-55-157(145)165(159)135-77-61-109(62-78-135)115-36-27-39-118(90-115)117-38-26-35-114(89-117)108-57-73-133(74-58-108)163-151-49-18-10-41-139(151)140-42-11-19-50-152(140)163/h1-31,33-104,106H,32H2
InChIKeyXFQZAZTWARBMJU-UHFFFAOYSA-N
MW2136.67 g/mol
LogP43.54
Rot. Bonds20

About 2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole

2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole (PubChem CID 149206255) has the molecular formula C162H106N6 and a molecular weight of 2136.67 g/mol. Its IUPAC name is 2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
PubChem CID149206255
Molecular FormulaC162H106N6
Molecular Weight2136.67 g/mol
Exact Mass2134.85
IUPAC Name2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
SMILESC1=CCC(c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccc(-c9cc(-c%10ccccc%10)cc(-c%10cccc(-c%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11)c%10)c9)cc8)c7c6)ccc54)cc3)cc(-c3cc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc(-c9cccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)c9)c8)cc7)cc65)cc4)c3)c2)C=C1
InChIInChI=1S/C162H106N6/c1-4-29-105(30-5-1)124-92-127(96-130(95-124)119-40-28-37-116(91-119)110-59-75-134(76-60-110)164-153-51-20-12-43-141(153)142-44-13-21-52-154(142)164)111-65-81-137(82-66-111)167-155-53-22-14-45-143(155)147-85-70-123(103-161(147)167)121-72-88-160-150(102-121)146-48-17-25-56-158(146)166(160)136-79-63-112(64-80-136)128-93-125(106-31-6-2-7-32-106)97-131(99-128)132-98-126(107-33-8-3-9-34-107)94-129(100-132)113-67-83-138(84-68-113)168-156-54-23-15-46-144(156)148-86-69-122(104-162(148)168)120-71-87-159-149(101-120)145-47-16-24-55-157(145)165(159)135-77-61-109(62-78-135)115-36-27-39-118(90-115)117-38-26-35-114(89-117)108-57-73-133(74-58-108)163-151-49-18-10-41-139(151)140-42-11-19-50-152(140)163/h1-31,33-104,106H,32H2
InChIKeyXFQZAZTWARBMJU-UHFFFAOYSA-N
XLogP43.54
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms168
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002136.67
LogP ≤ 543.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole?
The IUPAC name of 2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole (CID 149206255) is 2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole.
What is the SMILES notation for 2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole?
The canonical SMILES for 2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole is C1=CCC(c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccc(-c9cc(-c%10ccccc%10)cc(-c%10cccc(-c%11ccc(-n%12c%13ccccc%13c%13ccccc%13%12)cc%11)c%10)c9)cc8)c7c6)ccc54)cc3)cc(-c3cc(-c4ccccc4)cc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc(-c9cccc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)c9)c8)cc7)cc65)cc4)c3)c2)C=C1.
What is the InChIKey of 2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole?
The InChIKey is XFQZAZTWARBMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H106N6/c1-4-29-105(30-5-1)124-92-127(96-130(95-124)119-40-28-37-116(91-119)110-59-75-134(76-60-110)164-153-51-20-12-43-141(153)142-44-13-21-52-154(142)164)111-65-81-137(82-66-111)167-155-53-22-14-45-143(155)147-85-70-123(103-161(147)167)121-72-88-160-150(102-121)146-48-17-25-56-158(146)166(160)136-79-63-112(64-80-136)128-93-125(106-31-6-2-7-32-106)97-131(99-128)132-98-126(107-33-8-3-9-34-107)94-129(100-132)113-67-83-138(84-68-113)168-156-54-23-15-46-144(156)148-86-69-122(104-162(148)168)120-71-87-159-149(101-120)145-47-16-24-55-157(145)165(159)135-77-61-109(62-78-135)115-36-27-39-118(90-115)117-38-26-35-114(89-117)108-57-73-133(74-58-108)163-151-49-18-10-41-139(151)140-42-11-19-50-152(140)163/h1-31,33-104,106H,32H2.
What are the key properties of 2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole?
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole has a molecular weight of 2136.67 g/mol, XLogP of 43.54, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole is sourced from PubChem (CID 149206255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).