3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole

C156H98N12 — CID 138458872

IUPAC3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccc(-c%10nc(-c%11ccccc%11)cc(-c%11ccccc%11)n%10)cc9)c8c7)ccc65)cc4)cc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc(-c9cccc(-c%10cc(-c%11ccccc%11)nc(-c%11ccc(-n%12c%13ccccc%13c%13c(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccccc%14)cccc%13%12)cc%11)n%10)c9)c8)c7c6)ccc54)cc3)n2)cc1
InChIInChI=1S/C156H98N12/c1-6-31-101(32-7-1)135-96-136(102-33-8-2-9-34-102)158-154(157-135)107-69-82-121(83-70-107)167-141-52-22-16-45-124(141)129-84-71-113(94-151(129)167)111-73-86-147-132(91-111)126-47-18-25-55-144(126)164(147)118-76-63-100(64-77-118)99-59-61-105(62-60-99)139-97-137(103-35-10-3-11-36-103)159-155(161-139)106-65-78-119(79-66-106)165-145-56-26-19-48-127(145)133-92-112(74-87-148(133)165)114-72-85-130-125-46-17-23-53-142(125)168(152(130)95-114)122-44-29-40-110(90-122)109-39-28-41-116(89-109)140-98-138(104-37-12-4-13-38-104)160-156(162-140)108-67-80-120(81-68-108)166-146-57-27-21-50-131(146)153-123(51-30-58-150(153)166)115-75-88-149-134(93-115)128-49-20-24-54-143(128)163(149)117-42-14-5-15-43-117/h1-98H
InChIKeyYPDMBCZJMXGAFR-UHFFFAOYSA-N
MW2140.58 g/mol
LogP39.98
Rot. Bonds20

About 3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole

3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole (PubChem CID 138458872) has the molecular formula C156H98N12 and a molecular weight of 2140.58 g/mol. Its IUPAC name is 3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole
PubChem CID138458872
Molecular FormulaC156H98N12
Molecular Weight2140.58 g/mol
Exact Mass2138.80
IUPAC Name3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccc(-c%10nc(-c%11ccccc%11)cc(-c%11ccccc%11)n%10)cc9)c8c7)ccc65)cc4)cc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc(-c9cccc(-c%10cc(-c%11ccccc%11)nc(-c%11ccc(-n%12c%13ccccc%13c%13c(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccccc%14)cccc%13%12)cc%11)n%10)c9)c8)c7c6)ccc54)cc3)n2)cc1
InChIInChI=1S/C156H98N12/c1-6-31-101(32-7-1)135-96-136(102-33-8-2-9-34-102)158-154(157-135)107-69-82-121(83-70-107)167-141-52-22-16-45-124(141)129-84-71-113(94-151(129)167)111-73-86-147-132(91-111)126-47-18-25-55-144(126)164(147)118-76-63-100(64-77-118)99-59-61-105(62-60-99)139-97-137(103-35-10-3-11-36-103)159-155(161-139)106-65-78-119(79-66-106)165-145-56-26-19-48-127(145)133-92-112(74-87-148(133)165)114-72-85-130-125-46-17-23-53-142(125)168(152(130)95-114)122-44-29-40-110(90-122)109-39-28-41-116(89-109)140-98-138(104-37-12-4-13-38-104)160-156(162-140)108-67-80-120(81-68-108)166-146-57-27-21-50-131(146)153-123(51-30-58-150(153)166)115-75-88-149-134(93-115)128-49-20-24-54-143(128)163(149)117-42-14-5-15-43-117/h1-98H
InChIKeyYPDMBCZJMXGAFR-UHFFFAOYSA-N
XLogP39.98
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002140.58
LogP ≤ 539.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole?
The IUPAC name of 3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole (CID 138458872) is 3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccc(-c%10nc(-c%11ccccc%11)cc(-c%11ccccc%11)n%10)cc9)c8c7)ccc65)cc4)cc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8cccc(-c9cccc(-c%10cc(-c%11ccccc%11)nc(-c%11ccc(-n%12c%13ccccc%13c%13c(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccccc%14)cccc%13%12)cc%11)n%10)c9)c8)c7c6)ccc54)cc3)n2)cc1.
What is the InChIKey of 3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole?
The InChIKey is YPDMBCZJMXGAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C156H98N12/c1-6-31-101(32-7-1)135-96-136(102-33-8-2-9-34-102)158-154(157-135)107-69-82-121(83-70-107)167-141-52-22-16-45-124(141)129-84-71-113(94-151(129)167)111-73-86-147-132(91-111)126-47-18-25-55-144(126)164(147)118-76-63-100(64-77-118)99-59-61-105(62-60-99)139-97-137(103-35-10-3-11-36-103)159-155(161-139)106-65-78-119(79-66-106)165-145-56-26-19-48-127(145)133-92-112(74-87-148(133)165)114-72-85-130-125-46-17-23-53-142(125)168(152(130)95-114)122-44-29-40-110(90-122)109-39-28-41-116(89-109)140-98-138(104-37-12-4-13-38-104)160-156(162-140)108-67-80-120(81-68-108)166-146-57-27-21-50-131(146)153-123(51-30-58-150(153)166)115-75-88-149-134(93-115)128-49-20-24-54-143(128)163(149)117-42-14-5-15-43-117/h1-98H.
What are the key properties of 3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole?
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole has a molecular weight of 2140.58 g/mol, XLogP of 39.98, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-9-[4-[4-[6-phenyl-2-[4-[3-[9-[3-[3-[6-phenyl-2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 138458872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).