2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

C117H100N4 — CID 121276321

IUPAC2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc4c(c3)C3(c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3cc(N(c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C117H100N4/c1-9-113(10-2)101-49-33-29-45-89(101)93-61-53-81(69-105(93)113)120(82-54-62-94-90-46-30-34-50-102(90)114(11-3,12-4)106(94)70-82)87-59-67-99-100-68-60-88(121(83-55-63-95-91-47-31-35-51-103(91)115(13-5,14-6)107(95)71-83)84-56-64-96-92-48-32-36-52-104(92)116(15-7,16-8)108(96)72-84)76-112(100)117(111(99)75-87)109-73-85(118(77-37-21-17-22-38-77)78-39-23-18-24-40-78)57-65-97(109)98-66-58-86(74-110(98)117)119(79-41-25-19-26-42-79)80-43-27-20-28-44-80/h17-76H,9-16H2,1-8H3
InChIKeyKZKSEGKVMVKHAQ-UHFFFAOYSA-N
MW1562.11 g/mol
LogP32.26
Rot. Bonds20

About 2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 121276321) has the molecular formula C117H100N4 and a molecular weight of 1562.11 g/mol. Its IUPAC name is 2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

Molecular Properties

Compound Name2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
PubChem CID121276321
Molecular FormulaC117H100N4
Molecular Weight1562.11 g/mol
Exact Mass1560.79
IUPAC Name2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc4c(c3)C3(c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3cc(N(c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)ccc3-4)cc21
InChIInChI=1S/C117H100N4/c1-9-113(10-2)101-49-33-29-45-89(101)93-61-53-81(69-105(93)113)120(82-54-62-94-90-46-30-34-50-102(90)114(11-3,12-4)106(94)70-82)87-59-67-99-100-68-60-88(121(83-55-63-95-91-47-31-35-51-103(91)115(13-5,14-6)107(95)71-83)84-56-64-96-92-48-32-36-52-104(92)116(15-7,16-8)108(96)72-84)76-112(100)117(111(99)75-87)109-73-85(118(77-37-21-17-22-38-77)78-39-23-18-24-40-78)57-65-97(109)98-66-58-86(74-110(98)117)119(79-41-25-19-26-42-79)80-43-27-20-28-44-80/h17-76H,9-16H2,1-8H3
InChIKeyKZKSEGKVMVKHAQ-UHFFFAOYSA-N
XLogP32.26
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001562.11
LogP ≤ 532.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine with MolForge

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Related Compounds

2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
CID 20685715
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine
CID 168810437
[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 67039823
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 177080169
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306

Frequently Asked Questions

What is the IUPAC name of 2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The IUPAC name of 2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (CID 121276321) is 2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-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-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The canonical SMILES for 2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is CCC1(CC)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(CC)(CC)c3ccccc3-4)c3ccc4c(c3)C3(c5cc(N(c6ccccc6)c6ccccc6)ccc5-c5ccc(N(c6ccccc6)c6ccccc6)cc53)c3cc(N(c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)c5ccc6c(c5)C(CC)(CC)c5ccccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The InChIKey is KZKSEGKVMVKHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H100N4/c1-9-113(10-2)101-49-33-29-45-89(101)93-61-53-81(69-105(93)113)120(82-54-62-94-90-46-30-34-50-102(90)114(11-3,12-4)106(94)70-82)87-59-67-99-100-68-60-88(121(83-55-63-95-91-47-31-35-51-103(91)115(13-5,14-6)107(95)71-83)84-56-64-96-92-48-32-36-52-104(92)116(15-7,16-8)108(96)72-84)76-112(100)117(111(99)75-87)109-73-85(118(77-37-21-17-22-38-77)78-39-23-18-24-40-78)57-65-97(109)98-66-58-86(74-110(98)117)119(79-41-25-19-26-42-79)80-43-27-20-28-44-80/h17-76H,9-16H2,1-8H3.
What are the key properties of 2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine has a molecular weight of 1562.11 g/mol, XLogP of 32.26, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 121276321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).