2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

C133H100N4O4 — CID 153431611

IUPAC2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(Oc4ccccc4)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(Oc7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5-4)c4cc(N(c5ccc(Oc6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4-c4ccc(N(c5ccc(Oc6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc43)cc21
InChIInChI=1S/C133H100N4O4/c1-129(2)117-41-25-21-37-105(117)109-69-53-89(77-121(109)129)134(85-45-61-101(62-46-85)138-97-29-13-9-14-30-97)93-57-73-113-114-74-58-94(135(86-47-63-102(64-48-86)139-98-31-15-10-16-32-98)90-54-70-110-106-38-22-26-42-118(106)130(3,4)122(110)78-90)82-126(114)133(125(113)81-93)127-83-95(136(87-49-65-103(66-50-87)140-99-33-17-11-18-34-99)91-55-71-111-107-39-23-27-43-119(107)131(5,6)123(111)79-91)59-75-115(127)116-76-60-96(84-128(116)133)137(88-51-67-104(68-52-88)141-100-35-19-12-20-36-100)92-56-72-112-108-40-24-28-44-120(108)132(7,8)124(112)80-92/h9-84H,1-8H3
InChIKeyOVYQBIBBJVKKHU-UHFFFAOYSA-N
MW1818.29 g/mol
LogP36.30
Rot. Bonds20

About 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 153431611) has the molecular formula C133H100N4O4 and a molecular weight of 1818.29 g/mol. Its IUPAC name is 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

Molecular Properties

Compound Name2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
PubChem CID153431611
Molecular FormulaC133H100N4O4
Molecular Weight1818.29 g/mol
Exact Mass1816.77
IUPAC Name2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(Oc4ccccc4)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(Oc7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5-4)c4cc(N(c5ccc(Oc6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4-c4ccc(N(c5ccc(Oc6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc43)cc21
InChIInChI=1S/C133H100N4O4/c1-129(2)117-41-25-21-37-105(117)109-69-53-89(77-121(109)129)134(85-45-61-101(62-46-85)138-97-29-13-9-14-30-97)93-57-73-113-114-74-58-94(135(86-47-63-102(64-48-86)139-98-31-15-10-16-32-98)90-54-70-110-106-38-22-26-42-118(106)130(3,4)122(110)78-90)82-126(114)133(125(113)81-93)127-83-95(136(87-49-65-103(66-50-87)140-99-33-17-11-18-34-99)91-55-71-111-107-39-23-27-43-119(107)131(5,6)123(111)79-91)59-75-115(127)116-76-60-96(84-128(116)133)137(88-51-67-104(68-52-88)141-100-35-19-12-20-36-100)92-56-72-112-108-40-24-28-44-120(108)132(7,8)124(112)80-92/h9-84H,1-8H3
InChIKeyOVYQBIBBJVKKHU-UHFFFAOYSA-N
XLogP36.30
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001818.29
LogP ≤ 536.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine with MolForge

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Related Compounds

2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-methoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 134516059
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
7-N,9,9-trimethyl-2-N,2-N-diphenyl-7-N-(9,9'-spirobi[fluorene]-2-yl)fluorene-2,7-diamine
CID 58903523
N,N-bis(4-methoxyphenyl)-9,9-dimethylfluoren-2-amine
CID 20734434
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenoxy]boronic acid
CID 142737900

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The IUPAC name of 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (CID 153431611) is 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.
What is the SMILES notation for 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The canonical SMILES for 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(Oc4ccccc4)cc3)c3ccc4c(c3)C3(c5cc(N(c6ccc(Oc7ccccc7)cc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc5-4)c4cc(N(c5ccc(Oc6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc4-c4ccc(N(c5ccc(Oc6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc43)cc21.
What is the InChIKey of 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The InChIKey is OVYQBIBBJVKKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H100N4O4/c1-129(2)117-41-25-21-37-105(117)109-69-53-89(77-121(109)129)134(85-45-61-101(62-46-85)138-97-29-13-9-14-30-97)93-57-73-113-114-74-58-94(135(86-47-63-102(64-48-86)139-98-31-15-10-16-32-98)90-54-70-110-106-38-22-26-42-118(106)130(3,4)122(110)78-90)82-126(114)133(125(113)81-93)127-83-95(136(87-49-65-103(66-50-87)140-99-33-17-11-18-34-99)91-55-71-111-107-39-23-27-43-119(107)131(5,6)123(111)79-91)59-75-115(127)116-76-60-96(84-128(116)133)137(88-51-67-104(68-52-88)141-100-35-19-12-20-36-100)92-56-72-112-108-40-24-28-44-120(108)132(7,8)124(112)80-92/h9-84H,1-8H3.
What are the key properties of 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine has a molecular weight of 1818.29 g/mol, XLogP of 36.30, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N',7-N,7-N'-tetrakis(9,9-dimethylfluoren-2-yl)-2-N,2-N',7-N,7-N'-tetrakis(4-phenoxyphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 153431611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).