2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine

C136H84N10O2 — CID 166650929

IUPAC2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)Oc4ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)Oc8ccccc8C98c9ccccc9-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11cccc(-c%12ccccc%12)c%11)n%10)cc98)n7)c6)cc4C54c5ccccc5-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc54)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C136H84N10O2/c1-8-30-85(31-9-1)89-54-60-93(61-55-89)120-84-122(140-128(138-120)97-64-58-91(59-65-97)87-34-12-3-13-35-87)102-68-73-115-125(81-102)148-124-75-70-100(78-118(124)136(115)112-51-25-23-49-108(112)109-71-66-101(79-116(109)136)121-83-119(92-38-16-5-17-39-92)137-127(139-121)96-62-56-90(57-63-96)86-32-10-2-11-33-86)99-45-29-47-104(77-99)132-142-130(95-42-20-7-21-43-95)144-134(146-132)106-69-74-114-126(82-106)147-123-53-27-26-52-113(123)135(114)111-50-24-22-48-107(111)110-72-67-105(80-117(110)135)133-143-129(94-40-18-6-19-41-94)141-131(145-133)103-46-28-44-98(76-103)88-36-14-4-15-37-88/h1-84H
InChIKeySUAYBWZALPFADH-UHFFFAOYSA-N
MW1890.24 g/mol
LogP32.91
Rot. Bonds17

About 2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine

2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine (PubChem CID 166650929) has the molecular formula C136H84N10O2 and a molecular weight of 1890.24 g/mol. Its IUPAC name is 2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
PubChem CID166650929
Molecular FormulaC136H84N10O2
Molecular Weight1890.24 g/mol
Exact Mass1888.68
IUPAC Name2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)Oc4ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)Oc8ccccc8C98c9ccccc9-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11cccc(-c%12ccccc%12)c%11)n%10)cc98)n7)c6)cc4C54c5ccccc5-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc54)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C136H84N10O2/c1-8-30-85(31-9-1)89-54-60-93(61-55-89)120-84-122(140-128(138-120)97-64-58-91(59-65-97)87-34-12-3-13-35-87)102-68-73-115-125(81-102)148-124-75-70-100(78-118(124)136(115)112-51-25-23-49-108(112)109-71-66-101(79-116(109)136)121-83-119(92-38-16-5-17-39-92)137-127(139-121)96-62-56-90(57-63-96)86-32-10-2-11-33-86)99-45-29-47-104(77-99)132-142-130(95-42-20-7-21-43-95)144-134(146-132)106-69-74-114-126(82-106)147-123-53-27-26-52-113(123)135(114)111-50-24-22-48-107(111)110-72-67-105(80-117(110)135)133-143-129(94-40-18-6-19-41-94)141-131(145-133)103-46-28-44-98(76-103)88-36-14-4-15-37-88/h1-84H
InChIKeySUAYBWZALPFADH-UHFFFAOYSA-N
XLogP32.91
TPSA147.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001890.24
LogP ≤ 532.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine with MolForge

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Related Compounds

4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 163776996
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
4,6-bis(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 157164289

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine?
The IUPAC name of 2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine (CID 166650929) is 2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine?
The canonical SMILES for 2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)Oc4ccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9c(c8)Oc8ccccc8C98c9ccccc9-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11cccc(-c%12ccccc%12)c%11)n%10)cc98)n7)c6)cc4C54c5ccccc5-c5ccc(-c6cc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)cc54)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine?
The InChIKey is SUAYBWZALPFADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H84N10O2/c1-8-30-85(31-9-1)89-54-60-93(61-55-89)120-84-122(140-128(138-120)97-64-58-91(59-65-97)87-34-12-3-13-35-87)102-68-73-115-125(81-102)148-124-75-70-100(78-118(124)136(115)112-51-25-23-49-108(112)109-71-66-101(79-116(109)136)121-83-119(92-38-16-5-17-39-92)137-127(139-121)96-62-56-90(57-63-96)86-32-10-2-11-33-86)99-45-29-47-104(77-99)132-142-130(95-42-20-7-21-43-95)144-134(146-132)106-69-74-114-126(82-106)147-123-53-27-26-52-113(123)135(114)111-50-24-22-48-107(111)110-72-67-105(80-117(110)135)133-143-129(94-40-18-6-19-41-94)141-131(145-133)103-46-28-44-98(76-103)88-36-14-4-15-37-88/h1-84H.
What are the key properties of 2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine?
2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine has a molecular weight of 1890.24 g/mol, XLogP of 32.91, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine is sourced from PubChem (CID 166650929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).