3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine

C57H38N2 — CID 168775472

IUPAC3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2c(N(c2ccccc2)c2ccccc2)cc2ccccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C57H38N2/c1-4-21-42(22-5-1)58(45-33-32-39-18-10-11-19-40(39)36-45)46-34-35-53-50(38-46)48-28-14-16-30-51(48)57(53)52-31-17-15-29-49(52)55-47-27-13-12-20-41(47)37-54(56(55)57)59(43-23-6-2-7-24-43)44-25-8-3-9-26-44/h1-38H
InChIKeyUFXNWDJFNHJWGX-UHFFFAOYSA-N
MW750.95 g/mol
LogP15.28
Rot. Bonds6

About 3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine

3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine (PubChem CID 168775472) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine.

Molecular Properties

Compound Name3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
PubChem CID168775472
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC Name3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2c(N(c2ccccc2)c2ccccc2)cc2ccccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C57H38N2/c1-4-21-42(22-5-1)58(45-33-32-39-18-10-11-19-40(39)36-45)46-34-35-53-50(38-46)48-28-14-16-30-51(48)57(53)52-31-17-15-29-49(52)55-47-27-13-12-20-41(47)37-54(56(55)57)59(43-23-6-2-7-24-43)44-25-8-3-9-26-44/h1-38H
InChIKeyUFXNWDJFNHJWGX-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

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Related Compounds

3-N'-(9,9-dimethylfluoren-3-yl)-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775124
6-N-(9,9-diphenylfluoren-3-yl)-4-N',4-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775466
3-N'-dibenzothiophen-3-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775392
3-N',5-N-dinaphthalen-2-yl-3-N',5-N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775207
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775478
2-N'-(9,9-dimethylfluoren-4-yl)-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168774947
3-N-[3-(N-(7,7-dimethylbenzo[c]fluoren-6-yl)anilino)phenyl]-1-N-(9,9-dimethylfluoren-4-yl)-3-N-naphthalen-2-yl-1-N-phenylbenzene-1,3-diamine
CID 146602123
2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine
CID 168775411
4-N',4-N',6-N-triphenyl-6-N-(9,9'-spirobi[fluorene]-1-yl)spiro[benzo[c]fluorene-7,9'-fluorene]-4',6-diamine
CID 168775249
N-naphthalen-2-yl-4'-[4-[4-[naphthalen-1-yl(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177958
6-N-(9,9-diphenylfluoren-4-yl)-2-N',2-N',6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775309
2-N'-dibenzofuran-1-yl-2-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',6-diamine
CID 168775393

Frequently Asked Questions

What is the IUPAC name of 3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine?
The IUPAC name of 3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine (CID 168775472) is 3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine.
What is the SMILES notation for 3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine?
The canonical SMILES for 3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine is c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3c2c(N(c2ccccc2)c2ccccc2)cc2ccccc32)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine?
The InChIKey is UFXNWDJFNHJWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-4-21-42(22-5-1)58(45-33-32-39-18-10-11-19-40(39)36-45)46-34-35-53-50(38-46)48-28-14-16-30-51(48)57(53)52-31-17-15-29-49(52)55-47-27-13-12-20-41(47)37-54(56(55)57)59(43-23-6-2-7-24-43)44-25-8-3-9-26-44/h1-38H.
What are the key properties of 3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine?
3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-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 3-N'-naphthalen-2-yl-3-N',6-N,6-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine is sourced from PubChem (CID 168775472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).