4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine

C57H38N2 — CID 140915518

IUPAC4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5c(ccc6ccccc65)c4)cccc32)cc1
InChIInChI=1S/C57H38N2/c1-4-18-41(19-5-1)58(42-20-6-2-7-21-42)45-34-36-49-48-25-12-14-27-51(48)57(54(49)38-45)52-28-15-13-26-50(52)56-53(57)29-16-30-55(56)59(43-22-8-3-9-23-43)44-33-35-47-40(37-44)32-31-39-17-10-11-24-46(39)47/h1-38H
InChIKeyFZPIOEKZSCODDI-UHFFFAOYSA-N
MW750.95 g/mol
LogP15.28
Rot. Bonds6

About 4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine

4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine (PubChem CID 140915518) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine.

Molecular Properties

Compound Name4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
PubChem CID140915518
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC Name4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5c(ccc6ccccc65)c4)cccc32)cc1
InChIInChI=1S/C57H38N2/c1-4-18-41(19-5-1)58(42-20-6-2-7-21-42)45-34-36-49-48-25-12-14-27-51(48)57(54(49)38-45)52-28-15-13-26-50(52)56-53(57)29-16-30-55(56)59(43-22-8-3-9-23-43)44-33-35-47-40(37-44)32-31-39-17-10-11-24-46(39)47/h1-38H
InChIKeyFZPIOEKZSCODDI-UHFFFAOYSA-N
XLogP15.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476834
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-amine;N-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160671954
N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177274818
2-N'-dibenzofuran-2-yl-4-N-naphthalen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915341
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-4-yl)phenanthren-2-amine
CID 171453718
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
1-N,1-N,3-N-triphenyl-3-N-[3-[N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]benzene-1,3-diamine
CID 146601554
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
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-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170272344

Frequently Asked Questions

What is the IUPAC name of 4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine?
The IUPAC name of 4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine (CID 140915518) is 4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine.
What is the SMILES notation for 4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine?
The canonical SMILES for 4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4ccc5c(ccc6ccccc65)c4)cccc32)cc1.
What is the InChIKey of 4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine?
The InChIKey is FZPIOEKZSCODDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-4-18-41(19-5-1)58(42-20-6-2-7-21-42)45-34-36-49-48-25-12-14-27-51(48)57(54(49)38-45)52-28-15-13-26-50(52)56-53(57)29-16-30-55(56)59(43-22-8-3-9-23-43)44-33-35-47-40(37-44)32-31-39-17-10-11-24-46(39)47/h1-38H.
What are the key properties of 4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine?
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine has a molecular weight of 750.95 g/mol, XLogP of 15.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine is sourced from PubChem (CID 140915518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).