2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

C130H100N6 — CID 130271595

IUPAC2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8cc(N(c9ccccc9)c9ccccc9)ccc8-c8ccc(N(c9ccccc9)c9ccccc9)cc86)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc5)cc4)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C130H100N6/c1-127(2,3)91-61-73-111-112-74-62-92(128(4,5)6)82-120(112)129(119(111)81-91)121-83-105(131(93-37-17-7-18-38-93)94-39-19-8-20-40-94)67-75-113(121)114-79-71-109(87-122(114)129)135(101-53-33-15-34-54-101)103-63-57-89(58-64-103)90-59-65-104(66-60-90)136(102-55-35-16-36-56-102)110-72-80-118-117-78-70-108(134(99-49-29-13-30-50-99)100-51-31-14-32-52-100)86-125(117)130(126(118)88-110)123-84-106(132(95-41-21-9-22-42-95)96-43-23-10-24-44-96)68-76-115(123)116-77-69-107(85-124(116)130)133(97-45-25-11-26-46-97)98-47-27-12-28-48-98/h7-88H,1-6H3
InChIKeyXYWXCDDDRYJQGV-UHFFFAOYSA-N
MW1746.27 g/mol
LogP35.45
Rot. Bonds19

About 2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine

2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (PubChem CID 130271595) has the molecular formula C130H100N6 and a molecular weight of 1746.27 g/mol. Its IUPAC name is 2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.

Molecular Properties

Compound Name2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
PubChem CID130271595
Molecular FormulaC130H100N6
Molecular Weight1746.27 g/mol
Exact Mass1744.80
IUPAC Name2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8cc(N(c9ccccc9)c9ccccc9)ccc8-c8ccc(N(c9ccccc9)c9ccccc9)cc86)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc5)cc4)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C130H100N6/c1-127(2,3)91-61-73-111-112-74-62-92(128(4,5)6)82-120(112)129(119(111)81-91)121-83-105(131(93-37-17-7-18-38-93)94-39-19-8-20-40-94)67-75-113(121)114-79-71-109(87-122(114)129)135(101-53-33-15-34-54-101)103-63-57-89(58-64-103)90-59-65-104(66-60-90)136(102-55-35-16-36-56-102)110-72-80-118-117-78-70-108(134(99-49-29-13-30-50-99)100-51-31-14-32-52-100)86-125(117)130(126(118)88-110)123-84-106(132(95-41-21-9-22-42-95)96-43-23-10-24-44-96)68-76-115(123)116-77-69-107(85-124(116)130)133(97-45-25-11-26-46-97)98-47-27-12-28-48-98/h7-88H,1-6H3
InChIKeyXYWXCDDDRYJQGV-UHFFFAOYSA-N
XLogP35.45
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001746.27
LogP ≤ 535.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine with MolForge

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Related Compounds

2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177067157
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177066973
N-(4-tert-butylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153715
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
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
5-[9-[3,5-bis(N-phenylanilino)phenyl]-2,7-ditert-butylfluoren-9-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58141937
2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 59718361
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-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 177124718

Frequently Asked Questions

What is the IUPAC name of 2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The IUPAC name of 2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine (CID 130271595) is 2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine.
What is the SMILES notation for 2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The canonical SMILES for 2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is CC(C)(C)c1ccc2c(c1)C1(c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8cc(N(c9ccccc9)c9ccccc9)ccc8-c8ccc(N(c9ccccc9)c9ccccc9)cc86)c6cc(N(c8ccccc8)c8ccccc8)ccc6-7)cc5)cc4)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
The InChIKey is XYWXCDDDRYJQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H100N6/c1-127(2,3)91-61-73-111-112-74-62-92(128(4,5)6)82-120(112)129(119(111)81-91)121-83-105(131(93-37-17-7-18-38-93)94-39-19-8-20-40-94)67-75-113(121)114-79-71-109(87-122(114)129)135(101-53-33-15-34-54-101)103-63-57-89(58-64-103)90-59-65-104(66-60-90)136(102-55-35-16-36-56-102)110-72-80-118-117-78-70-108(134(99-49-29-13-30-50-99)100-51-31-14-32-52-100)86-125(117)130(126(118)88-110)123-84-106(132(95-41-21-9-22-42-95)96-43-23-10-24-44-96)68-76-115(123)116-77-69-107(85-124(116)130)133(97-45-25-11-26-46-97)98-47-27-12-28-48-98/h7-88H,1-6H3.
What are the key properties of 2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine?
2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine has a molecular weight of 1746.27 g/mol, XLogP of 35.45, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-[4-[4-(N-[2,7-ditert-butyl-7'-(N-phenylanilino)-9,9'-spirobi[fluorene]-2'-yl]anilino)phenyl]phenyl]-2-N,2-N,2-N',7-N,7-N,7-N',7-N'-heptakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine is sourced from PubChem (CID 130271595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).