N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine

C56H37N — CID 157327402

IUPACN-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine
SMILESc1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)c3cccc4c3-c3ccccc3C4)ccc1-2
InChIInChI=1S/C56H37N/c1-5-19-44-35(13-1)27-30-51-55(44)47-22-8-10-24-49(47)56(51)48-23-9-7-21-46(48)53-39(17-11-25-50(53)56)34-57(41-28-29-43-40(33-41)32-36-14-2-4-18-42(36)43)52-26-12-16-38-31-37-15-3-6-20-45(37)54(38)52/h1-30,33H,31-32,34H2
InChIKeyWEDRIHAQERIGBU-UHFFFAOYSA-N
MW723.92 g/mol
LogP13.66
Rot. Bonds4

About N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine

N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine (PubChem CID 157327402) has the molecular formula C56H37N and a molecular weight of 723.92 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine
PubChem CID157327402
Molecular FormulaC56H37N
Molecular Weight723.92 g/mol
Exact Mass723.29
IUPAC NameN-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine
SMILESc1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)c3cccc4c3-c3ccccc3C4)ccc1-2
InChIInChI=1S/C56H37N/c1-5-19-44-35(13-1)27-30-51-55(44)47-22-8-10-24-49(47)56(51)48-23-9-7-21-46(48)53-39(17-11-25-50(53)56)34-57(41-28-29-43-40(33-41)32-36-14-2-4-18-42(36)43)52-26-12-16-38-31-37-15-3-6-20-45(37)54(38)52/h1-30,33H,31-32,34H2
InChIKeyWEDRIHAQERIGBU-UHFFFAOYSA-N
XLogP13.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylmethyl)-9H-fluoren-4-amine
CID 158008520
N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine;N-(9H-fluoren-2-yl)-N-(spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylmethyl)-9H-fluoren-3-amine;N-(9H-fluoren-1-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-2-amine
CID 157131998
3'-(9H-fluoren-4-yl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158727165
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
ethane;N-ethyl-N-[1-[2-[ethyl(9H-fluoren-4-yl)amino]naphthalen-1-yl]naphthalen-2-yl]-9H-fluoren-4-amine
CID 158504625
N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134194037
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
CID 153308803
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229541
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193960
N-(9,9-dimethylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-3-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229752
tris(6,12-dihydroindeno[1,2-b]fluorene);ethane;phenanthrene;bis(9,9'-spirobi[fluorene])
CID 161230311

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine?
The IUPAC name of N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine (CID 157327402) is N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine.
What is the SMILES notation for N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine?
The canonical SMILES for N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine is c1ccc2c(c1)Cc1cc(N(Cc3cccc4c3-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)c3cccc4c3-c3ccccc3C4)ccc1-2.
What is the InChIKey of N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine?
The InChIKey is WEDRIHAQERIGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N/c1-5-19-44-35(13-1)27-30-51-55(44)47-22-8-10-24-49(47)56(51)48-23-9-7-21-46(48)53-39(17-11-25-50(53)56)34-57(41-28-29-43-40(33-41)32-36-14-2-4-18-42(36)43)52-26-12-16-38-31-37-15-3-6-20-45(37)54(38)52/h1-30,33H,31-32,34H2.
What are the key properties of N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine?
N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine has a molecular weight of 723.92 g/mol, XLogP of 13.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-N-(spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylmethyl)-9H-fluoren-4-amine is sourced from PubChem (CID 157327402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).