8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole

C148H104N14 — CID 126699167

IUPAC8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3ccc4c(c3)c3cnccc3n4-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccccc5c5cnccc54)c3)ccc1n2-c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6cc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)cc5)cc4)n3)c2)cc1
InChIInChI=1S/C148H104N14/c1-147(2,3)112-64-71-137-122(84-112)123-85-113(148(4,5)91-94-55-70-136-121(77-94)125-93-150-76-74-140(125)162(136)117-83-109(82-116(86-117)161-134-52-29-27-49-119(134)124-92-149-75-73-139(124)161)133-90-131(103-43-23-11-24-44-103)151-143(158-133)105-45-25-12-26-46-105)65-72-138(123)159(137)114-66-60-95(61-67-114)106-47-31-48-107(78-106)144-152-126(98-33-13-6-14-34-98)89-132(153-144)104-58-56-97(57-59-104)118-51-32-54-141-142(118)120-50-28-30-53-135(120)160(141)115-68-62-96(63-69-115)108-79-110(145-154-127(99-35-15-7-16-36-99)87-128(155-145)100-37-17-8-18-38-100)81-111(80-108)146-156-129(101-39-19-9-20-40-101)88-130(157-146)102-41-21-10-22-42-102/h6-90,92-93H,91H2,1-5H3
InChIKeyUXVIREBRTVLGJK-UHFFFAOYSA-N
MW2078.56 g/mol
LogP36.85
Rot. Bonds22

About 8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole

8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole (PubChem CID 126699167) has the molecular formula C148H104N14 and a molecular weight of 2078.56 g/mol. Its IUPAC name is 8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
PubChem CID126699167
Molecular FormulaC148H104N14
Molecular Weight2078.56 g/mol
Exact Mass2076.86
IUPAC Name8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3ccc4c(c3)c3cnccc3n4-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccccc5c5cnccc54)c3)ccc1n2-c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6cc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)cc5)cc4)n3)c2)cc1
InChIInChI=1S/C148H104N14/c1-147(2,3)112-64-71-137-122(84-112)123-85-113(148(4,5)91-94-55-70-136-121(77-94)125-93-150-76-74-140(125)162(136)117-83-109(82-116(86-117)161-134-52-29-27-49-119(134)124-92-149-75-73-139(124)161)133-90-131(103-43-23-11-24-44-103)151-143(158-133)105-45-25-12-26-46-105)65-72-138(123)159(137)114-66-60-95(61-67-114)106-47-31-48-107(78-106)144-152-126(98-33-13-6-14-34-98)89-132(153-144)104-58-56-97(57-59-104)118-51-32-54-141-142(118)120-50-28-30-53-135(120)160(141)115-68-62-96(63-69-115)108-79-110(145-154-127(99-35-15-7-16-36-99)87-128(155-145)100-37-17-8-18-38-100)81-111(80-108)146-156-129(101-39-19-9-20-40-101)88-130(157-146)102-41-21-10-22-42-102/h6-90,92-93H,91H2,1-5H3
InChIKeyUXVIREBRTVLGJK-UHFFFAOYSA-N
XLogP36.85
TPSA148.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002078.56
LogP ≤ 536.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
The IUPAC name of 8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole (CID 126699167) is 8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
The canonical SMILES for 8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)Cc3ccc4c(c3)c3cnccc3n4-c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc(-n4c5ccccc5c5cnccc54)c3)ccc1n2-c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc(-c6cc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)c6)cc5)cc4)n3)c2)cc1.
What is the InChIKey of 8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
The InChIKey is UXVIREBRTVLGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H104N14/c1-147(2,3)112-64-71-137-122(84-112)123-85-113(148(4,5)91-94-55-70-136-121(77-94)125-93-150-76-74-140(125)162(136)117-83-109(82-116(86-117)161-134-52-29-27-49-119(134)124-92-149-75-73-139(124)161)133-90-131(103-43-23-11-24-44-103)151-143(158-133)105-45-25-12-26-46-105)65-72-138(123)159(137)114-66-60-95(61-67-114)106-47-31-48-107(78-106)144-152-126(98-33-13-6-14-34-98)89-132(153-144)104-58-56-97(57-59-104)118-51-32-54-141-142(118)120-50-28-30-53-135(120)160(141)115-68-62-96(63-69-115)108-79-110(145-154-127(99-35-15-7-16-36-99)87-128(155-145)100-37-17-8-18-38-100)81-111(80-108)146-156-129(101-39-19-9-20-40-101)88-130(157-146)102-41-21-10-22-42-102/h6-90,92-93H,91H2,1-5H3.
What are the key properties of 8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole?
8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole has a molecular weight of 2078.56 g/mol, XLogP of 36.85, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[9-[4-[3-[4-[4-[9-[4-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazol-4-yl]phenyl]-6-phenylpyrimidin-2-yl]phenyl]phenyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-5-[3-(2,6-diphenylpyrimidin-4-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 126699167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).