4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine

C57H38N2O — CID 167178088

IUPAC4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5ccccc5c4)cccc32)cc1
InChIInChI=1S/C57H38N2O/c1-3-21-43(22-4-1)58(45-35-33-39-17-7-9-19-41(39)37-45)52-30-15-28-50-55(52)47-25-11-12-26-48(47)57(50)49-27-13-14-32-54(49)60-56-51(57)29-16-31-53(56)59(44-23-5-2-6-24-44)46-36-34-40-18-8-10-20-42(40)38-46/h1-38H
InChIKeyUSIGJBVEVGRPLJ-UHFFFAOYSA-N
MW766.94 g/mol
LogP15.40
Rot. Bonds6

About 4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine

4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine (PubChem CID 167178088) has the molecular formula C57H38N2O and a molecular weight of 766.94 g/mol. Its IUPAC name is 4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine.

Molecular Properties

Compound Name4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine
PubChem CID167178088
Molecular FormulaC57H38N2O
Molecular Weight766.94 g/mol
Exact Mass766.30
IUPAC Name4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5ccccc5c4)cccc32)cc1
InChIInChI=1S/C57H38N2O/c1-3-21-43(22-4-1)58(45-35-33-39-17-7-9-19-41(39)37-45)52-30-15-28-50-55(52)47-25-11-12-26-48(47)57(50)49-27-13-14-32-54(49)60-56-51(57)29-16-31-53(56)59(44-23-5-2-6-24-44)46-36-34-40-18-8-10-20-42(40)38-46/h1-38H
InChIKeyUSIGJBVEVGRPLJ-UHFFFAOYSA-N
XLogP15.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.94
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine;N-naphthalen-2-yl-9,9-diphenyl-N-(4-phenylphenyl)xanthen-4-amine;N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 161132857
4-N',5-N-dinaphthalen-2-yl-4-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',5-diamine
CID 168775420
N-naphthalen-2-yl-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121464393
N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-amine
CID 138581435
N-(6-phenylnaphthalen-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138475982
N-[4-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476259
N-phenanthren-2-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476834
N,N-dinaphthalen-2-ylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
CID 138582863
N-(3-phenylphenyl)-N-(4-phenylphenyl)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 135229554
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-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 167177755
N-[4-(3-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine;N-(3-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 159195923

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine?
The IUPAC name of 4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine (CID 167178088) is 4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine.
What is the SMILES notation for 4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine?
The canonical SMILES for 4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine is c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2Oc2ccccc2C32c3ccccc3-c3c(N(c4ccccc4)c4ccc5ccccc5c4)cccc32)cc1.
What is the InChIKey of 4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine?
The InChIKey is USIGJBVEVGRPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2O/c1-3-21-43(22-4-1)58(45-35-33-39-17-7-9-19-41(39)37-45)52-30-15-28-50-55(52)47-25-11-12-26-48(47)57(50)49-27-13-14-32-54(49)60-56-51(57)29-16-31-53(56)59(44-23-5-2-6-24-44)46-36-34-40-18-8-10-20-42(40)38-46/h1-38H.
What are the key properties of 4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine?
4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine has a molecular weight of 766.94 g/mol, XLogP of 15.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N'-dinaphthalen-2-yl-4-N,4-N'-diphenylspiro[fluorene-9,9'-xanthene]-4,4'-diamine is sourced from PubChem (CID 167178088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).