CID 146184551

C144H87N5OS2 — CID 146184551

IUPAC—
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5C5(c6ccccc6-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccc(-c%10ccc%11c(c%10)Sc%10ccccc%10C%11%10c%11ccccc%11C%11(c%12ccccc%12-c%12ccccc%12%11)c%11ccccc%11%10)cc9)n8)cc7)cc65)c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C144H87N5OS2/c1-3-30-91(31-4-1)127-86-129(93-64-62-90(63-65-93)102-39-29-40-109-108-38-11-26-55-133(108)150-138(102)109)147-139(145-127)95-66-58-88(59-67-95)98-75-81-136-126(84-98)144(123-53-24-27-56-134(123)151-136)120-50-21-17-46-116(120)142(117-47-18-22-51-121(117)144)113-43-14-9-36-105(113)106-78-72-99(83-125(106)142)97-74-80-132-110(82-97)107-37-10-25-54-131(107)149(132)101-76-70-94(71-77-101)130-87-128(92-32-5-2-6-33-92)146-140(148-130)96-68-60-89(61-69-96)100-73-79-124-137(85-100)152-135-57-28-23-52-122(135)143(124)118-48-19-15-44-114(118)141(115-45-16-20-49-119(115)143)111-41-12-7-34-103(111)104-35-8-13-42-112(104)141/h1-87H
InChIKeyQSXZSYVUFPWEEQ-UHFFFAOYSA-N
MW1967.45 g/mol
LogP35.98
Rot. Bonds11

About CID 146184551

CID 146184551 (PubChem CID 146184551) has the molecular formula C144H87N5OS2 and a molecular weight of 1967.45 g/mol.

Molecular Properties

Compound NameCID 146184551
PubChem CID146184551
Molecular FormulaC144H87N5OS2
Molecular Weight1967.45 g/mol
Exact Mass1965.64
IUPAC Name—
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5C5(c6ccccc6-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccc(-c%10ccc%11c(c%10)Sc%10ccccc%10C%11%10c%11ccccc%11C%11(c%12ccccc%12-c%12ccccc%12%11)c%11ccccc%11%10)cc9)n8)cc7)cc65)c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C144H87N5OS2/c1-3-30-91(31-4-1)127-86-129(93-64-62-90(63-65-93)102-39-29-40-109-108-38-11-26-55-133(108)150-138(102)109)147-139(145-127)95-66-58-88(59-67-95)98-75-81-136-126(84-98)144(123-53-24-27-56-134(123)151-136)120-50-21-17-46-116(120)142(117-47-18-22-51-121(117)144)113-43-14-9-36-105(113)106-78-72-99(83-125(106)142)97-74-80-132-110(82-97)107-37-10-25-54-131(107)149(132)101-76-70-94(71-77-101)130-87-128(92-32-5-2-6-33-92)146-140(148-130)96-68-60-89(61-69-96)100-73-79-124-137(85-100)152-135-57-28-23-52-122(135)143(124)118-48-19-15-44-114(118)141(115-45-16-20-49-119(115)143)111-41-12-7-34-103(111)104-35-8-13-42-112(104)141/h1-87H
InChIKeyQSXZSYVUFPWEEQ-UHFFFAOYSA-N
XLogP35.98
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001967.45
LogP ≤ 535.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 146326783
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-3'-yl-1,3,5-triazine
CID 142469829
9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 138564841
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-thioxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 166738136
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
9-[4-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 166737994
3-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159354385
5'-(4-dibenzofuran-4-ylphenyl)-2'-[9-(3-phenylphenyl)carbazol-3-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 134313263
9-[4-[6-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-1-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 166995680
9-phenyl-3-(3-phenyl-9,9'-spirobi[thioxanthene]-2'-yl)carbazole
CID 118698300
9-phenyl-3-(2'-phenyl-9,9'-spirobi[thioxanthene]-3-yl)carbazole
CID 118698297
2-(4-dibenzofuran-4-ylphenyl)-4-[3-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146494897

Frequently Asked Questions

What is the IUPAC name of CID 146184551?
The IUPAC name of CID 146184551 (CID 146184551) is not available.
What is the SMILES notation for CID 146184551?
The canonical SMILES for CID 146184551 is c1ccc(-c2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5C5(c6ccccc6-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccc(-c%10ccc%11c(c%10)Sc%10ccccc%10C%11%10c%11ccccc%11C%11(c%12ccccc%12-c%12ccccc%12%11)c%11ccccc%11%10)cc9)n8)cc7)cc65)c5ccccc54)cc3)n2)cc1.
What is the InChIKey of CID 146184551?
The InChIKey is QSXZSYVUFPWEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H87N5OS2/c1-3-30-91(31-4-1)127-86-129(93-64-62-90(63-65-93)102-39-29-40-109-108-38-11-26-55-133(108)150-138(102)109)147-139(145-127)95-66-58-88(59-67-95)98-75-81-136-126(84-98)144(123-53-24-27-56-134(123)151-136)120-50-21-17-46-116(120)142(117-47-18-22-51-121(117)144)113-43-14-9-36-105(113)106-78-72-99(83-125(106)142)97-74-80-132-110(82-97)107-37-10-25-54-131(107)149(132)101-76-70-94(71-77-101)130-87-128(92-32-5-2-6-33-92)146-140(148-130)96-68-60-89(61-69-96)100-73-79-124-137(85-100)152-135-57-28-23-52-122(135)143(124)118-48-19-15-44-114(118)141(115-45-16-20-49-119(115)143)111-41-12-7-34-103(111)104-35-8-13-42-112(104)141/h1-87H.
What are the key properties of CID 146184551?
CID 146184551 has a molecular weight of 1967.45 g/mol, XLogP of 35.98, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146184551 is sourced from PubChem (CID 146184551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).