9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole

C112H69N17 — CID 138593243

IUPAC9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)cc(-c3cc(-c4ccnc(-c5cc(-c6ncc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cn6)cc(-c6ccc(-c7ccc(-c8nc(-c9ccccn9)cc(-c9ncc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cn9)n8)cc7)cn6)n5)c4)ccn3)n2)cc1
InChIInChI=1S/C112H69N17/c1-2-18-74(19-3-1)95-58-79(109-117-64-81(65-118-109)71-37-44-84(45-38-71)127-103-27-10-4-20-87(103)88-21-5-11-28-104(88)127)60-99(123-95)96-56-76(51-54-114-96)77-52-55-115-97(57-77)100-61-80(110-119-66-82(67-120-110)72-39-46-85(47-40-72)128-105-29-12-6-22-89(105)90-23-7-13-30-106(90)128)59-98(124-100)94-50-43-78(63-116-94)70-33-35-75(36-34-70)111-125-101(93-26-16-17-53-113-93)62-102(126-111)112-121-68-83(69-122-112)73-41-48-86(49-42-73)129-107-31-14-8-24-91(107)92-25-9-15-32-108(92)129/h1-69H
InChIKeyCRXHLNBMHJPQOA-UHFFFAOYSA-N
MW1652.90 g/mol
LogP25.85
Rot. Bonds17

About 9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole

9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole (PubChem CID 138593243) has the molecular formula C112H69N17 and a molecular weight of 1652.90 g/mol. Its IUPAC name is 9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole
PubChem CID138593243
Molecular FormulaC112H69N17
Molecular Weight1652.90 g/mol
Exact Mass1651.59
IUPAC Name9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)cc(-c3cc(-c4ccnc(-c5cc(-c6ncc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cn6)cc(-c6ccc(-c7ccc(-c8nc(-c9ccccn9)cc(-c9ncc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cn9)n8)cc7)cn6)n5)c4)ccn3)n2)cc1
InChIInChI=1S/C112H69N17/c1-2-18-74(19-3-1)95-58-79(109-117-64-81(65-118-109)71-37-44-84(45-38-71)127-103-27-10-4-20-87(103)88-21-5-11-28-104(88)127)60-99(123-95)96-56-76(51-54-114-96)77-52-55-115-97(57-77)100-61-80(110-119-66-82(67-120-110)72-39-46-85(47-40-72)128-105-29-12-6-22-89(105)90-23-7-13-30-106(90)128)59-98(124-100)94-50-43-78(63-116-94)70-33-35-75(36-34-70)111-125-101(93-26-16-17-53-113-93)62-102(126-111)112-121-68-83(69-122-112)73-41-48-86(49-42-73)129-107-31-14-8-24-91(107)92-25-9-15-32-108(92)129/h1-69H
InChIKeyCRXHLNBMHJPQOA-UHFFFAOYSA-N
XLogP25.85
TPSA195.25 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001652.90
LogP ≤ 525.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole (CID 138593243) is 9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole is c1ccc(-c2cc(-c3ncc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cn3)cc(-c3cc(-c4ccnc(-c5cc(-c6ncc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)cn6)cc(-c6ccc(-c7ccc(-c8nc(-c9ccccn9)cc(-c9ncc(-c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%10)cn9)n8)cc7)cn6)n5)c4)ccn3)n2)cc1.
What is the InChIKey of 9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole?
The InChIKey is CRXHLNBMHJPQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H69N17/c1-2-18-74(19-3-1)95-58-79(109-117-64-81(65-118-109)71-37-44-84(45-38-71)127-103-27-10-4-20-87(103)88-21-5-11-28-104(88)127)60-99(123-95)96-56-76(51-54-114-96)77-52-55-115-97(57-77)100-61-80(110-119-66-82(67-120-110)72-39-46-85(47-40-72)128-105-29-12-6-22-89(105)90-23-7-13-30-106(90)128)59-98(124-100)94-50-43-78(63-116-94)70-33-35-75(36-34-70)111-125-101(93-26-16-17-53-113-93)62-102(126-111)112-121-68-83(69-122-112)73-41-48-86(49-42-73)129-107-31-14-8-24-91(107)92-25-9-15-32-108(92)129/h1-69H.
What are the key properties of 9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole?
9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole has a molecular weight of 1652.90 g/mol, XLogP of 25.85, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[2-[4-[6-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-[4-[2-[4-[5-(4-carbazol-9-ylphenyl)pyrimidin-2-yl]-6-phenyl-2-pyridinyl]-4-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]phenyl]-6-pyridin-2-ylpyrimidin-4-yl]pyrimidin-5-yl]phenyl]carbazole is sourced from PubChem (CID 138593243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).