11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

C152H110B2N2O4 — CID 147575722

IUPAC11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESCC1(C)OB(c2ccc(-c3c(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-n7c8ccccc8c8ccc9c(c87)C7(c8ccccc8-c8ccccc87)c7ccccc7-9)cc6)c5-c5ccc(B6OC(C)(C)C(C)(C)O6)cc5)cc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccc(-n4c5ccccc5c5ccc6c(c54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cc2)OC1(C)C
InChIInChI=1S/C152H110B2N2O4/c1-147(2)148(3,4)158-153(157-147)107-83-75-103(76-84-107)139-137(133(97-47-19-11-20-48-97)131(95-43-15-9-16-44-95)135(99-51-23-13-24-52-99)141(139)105-79-87-109(88-80-105)155-129-69-41-33-61-117(129)121-93-91-119-115-59-31-39-67-127(115)151(143(119)145(121)155)123-63-35-27-55-111(123)112-56-28-36-64-124(112)151)101-71-73-102(74-72-101)138-134(98-49-21-12-22-50-98)132(96-45-17-10-18-46-96)136(100-53-25-14-26-54-100)142(140(138)104-77-85-108(86-78-104)154-159-149(5,6)150(7,8)160-154)106-81-89-110(90-82-106)156-130-70-42-34-62-118(130)122-94-92-120-116-60-32-40-68-128(116)152(144(120)146(122)156)125-65-37-29-57-113(125)114-58-30-38-66-126(114)152/h9-94H,1-8H3
InChIKeyFVKXTAKYQQJDEA-UHFFFAOYSA-N
MW2050.19 g/mol
LogP37.17
Rot. Bonds16

About 11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]

11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (PubChem CID 147575722) has the molecular formula C152H110B2N2O4 and a molecular weight of 2050.19 g/mol. Its IUPAC name is 11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole].

Molecular Properties

Compound Name11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
PubChem CID147575722
Molecular FormulaC152H110B2N2O4
Molecular Weight2050.19 g/mol
Exact Mass2048.87
IUPAC Name11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
SMILESCC1(C)OB(c2ccc(-c3c(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-n7c8ccccc8c8ccc9c(c87)C7(c8ccccc8-c8ccccc87)c7ccccc7-9)cc6)c5-c5ccc(B6OC(C)(C)C(C)(C)O6)cc5)cc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccc(-n4c5ccccc5c5ccc6c(c54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cc2)OC1(C)C
InChIInChI=1S/C152H110B2N2O4/c1-147(2)148(3,4)158-153(157-147)107-83-75-103(76-84-107)139-137(133(97-47-19-11-20-48-97)131(95-43-15-9-16-44-95)135(99-51-23-13-24-52-99)141(139)105-79-87-109(88-80-105)155-129-69-41-33-61-117(129)121-93-91-119-115-59-31-39-67-127(115)151(143(119)145(121)155)123-63-35-27-55-111(123)112-56-28-36-64-124(112)151)101-71-73-102(74-72-101)138-134(98-49-21-12-22-50-98)132(96-45-17-10-18-46-96)136(100-53-25-14-26-54-100)142(140(138)104-77-85-108(86-78-104)154-159-149(5,6)150(7,8)160-154)106-81-89-110(90-82-106)156-130-70-42-34-62-118(130)122-94-92-120-116-60-32-40-68-128(116)152(144(120)146(122)156)125-65-37-29-57-113(125)114-58-30-38-66-126(114)152/h9-94H,1-8H3
InChIKeyFVKXTAKYQQJDEA-UHFFFAOYSA-N
XLogP37.17
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002050.19
LogP ≤ 537.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The IUPAC name of 11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] (CID 147575722) is 11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole].
What is the SMILES notation for 11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The canonical SMILES for 11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is CC1(C)OB(c2ccc(-c3c(-c4ccc(-c5c(-c6ccccc6)c(-c6ccccc6)c(-c6ccccc6)c(-c6ccc(-n7c8ccccc8c8ccc9c(c87)C7(c8ccccc8-c8ccccc87)c7ccccc7-9)cc6)c5-c5ccc(B6OC(C)(C)C(C)(C)O6)cc5)cc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccc(-n4c5ccccc5c5ccc6c(c54)C4(c5ccccc5-c5ccccc54)c4ccccc4-6)cc3)cc2)OC1(C)C.
What is the InChIKey of 11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
The InChIKey is FVKXTAKYQQJDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H110B2N2O4/c1-147(2)148(3,4)158-153(157-147)107-83-75-103(76-84-107)139-137(133(97-47-19-11-20-48-97)131(95-43-15-9-16-44-95)135(99-51-23-13-24-52-99)141(139)105-79-87-109(88-80-105)155-129-69-41-33-61-117(129)121-93-91-119-115-59-31-39-67-127(115)151(143(119)145(121)155)123-63-35-27-55-111(123)112-56-28-36-64-124(112)151)101-71-73-102(74-72-101)138-134(98-49-21-12-22-50-98)132(96-45-17-10-18-46-96)136(100-53-25-14-26-54-100)142(140(138)104-77-85-108(86-78-104)154-159-149(5,6)150(7,8)160-154)106-81-89-110(90-82-106)156-130-70-42-34-62-118(130)122-94-92-120-116-60-32-40-68-128(116)152(144(120)146(122)156)125-65-37-29-57-113(125)114-58-30-38-66-126(114)152/h9-94H,1-8H3.
What are the key properties of 11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]?
11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] has a molecular weight of 2050.19 g/mol, XLogP of 37.17, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11'-[4-[2,3,4-triphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-[4-[2,3,4-triphenyl-5-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole] is sourced from PubChem (CID 147575722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).