N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine

C51H37N — CID 166864247

IUPACN-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine
SMILESC1=CC2Cc3ccc(N(Cc4ccc(-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3C2C=C1
InChIInChI=1S/C51H37N/c1-2-13-35(14-3-1)36-27-25-34(26-28-36)33-52(39-30-29-38-31-37-15-4-5-16-40(37)44(38)32-39)49-24-12-23-48-50(49)43-19-8-11-22-47(43)51(48)45-20-9-6-17-41(45)42-18-7-10-21-46(42)51/h1-30,32,37,40H,31,33H2
InChIKeySBPQKJNNAKADFM-UHFFFAOYSA-N
MW663.86 g/mol
LogP12.42
Rot. Bonds5

About N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine

N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 166864247) has the molecular formula C51H37N and a molecular weight of 663.86 g/mol. Its IUPAC name is N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID166864247
Molecular FormulaC51H37N
Molecular Weight663.86 g/mol
Exact Mass663.29
IUPAC NameN-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine
SMILESC1=CC2Cc3ccc(N(Cc4ccc(-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3C2C=C1
InChIInChI=1S/C51H37N/c1-2-13-35(14-3-1)36-27-25-34(26-28-36)33-52(39-30-29-38-31-37-15-4-5-16-40(37)44(38)32-39)49-24-12-23-48-50(49)43-19-8-11-22-47(43)51(48)45-20-9-6-17-41(45)42-18-7-10-21-46(42)51/h1-30,32,37,40H,31,33H2
InChIKeySBPQKJNNAKADFM-UHFFFAOYSA-N
XLogP12.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.86
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 118153763
CID 118153763
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129266510
N-(9-methyl-9H-fluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 164802562
N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-5a,9a-dihydrodibenzofuran-3-amine
CID 135277465
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
2'-[4-(N-phenylanilino)phenyl]-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 140915456
4'-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171799079
N-[4-(3-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168789232
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 121391790

Frequently Asked Questions

What is the IUPAC name of N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine (CID 166864247) is N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine is C1=CC2Cc3ccc(N(Cc4ccc(-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3C2C=C1.
What is the InChIKey of N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is SBPQKJNNAKADFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N/c1-2-13-35(14-3-1)36-27-25-34(26-28-36)33-52(39-30-29-38-31-37-15-4-5-16-40(37)44(38)32-39)49-24-12-23-48-50(49)43-19-8-11-22-47(43)51(48)45-20-9-6-17-41(45)42-18-7-10-21-46(42)51/h1-30,32,37,40H,31,33H2.
What are the key properties of N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine?
N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 663.86 g/mol, XLogP of 12.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8a,9-dihydro-4bH-fluoren-3-yl)-N-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 166864247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).