6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine

C57H38N2 — CID 168775270

IUPAC6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4cccc5ccccc45)cc4ccccc4c32)cc1
InChIInChI=1S/C57H38N2/c1-4-22-41(23-5-1)58(42-24-6-2-7-25-42)44-35-36-48-47-30-14-16-32-50(47)57(52(48)38-44)51-33-17-15-31-49(51)55-54(37-40-20-11-13-29-46(40)56(55)57)59(43-26-8-3-9-27-43)53-34-18-21-39-19-10-12-28-45(39)53/h1-38H
InChIKeyIHAIEMFGMKMTCF-UHFFFAOYSA-N
MW750.95 g/mol
LogP15.28
Rot. Bonds6

About 6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine

6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine (PubChem CID 168775270) has the molecular formula C57H38N2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine.

Molecular Properties

Compound Name6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
PubChem CID168775270
Molecular FormulaC57H38N2
Molecular Weight750.95 g/mol
Exact Mass750.30
IUPAC Name6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4cccc5ccccc45)cc4ccccc4c32)cc1
InChIInChI=1S/C57H38N2/c1-4-22-41(23-5-1)58(42-24-6-2-7-25-42)44-35-36-48-47-30-14-16-32-50(47)57(52(48)38-44)51-33-17-15-31-49(51)55-54(37-40-20-11-13-29-46(40)56(55)57)59(43-26-8-3-9-27-43)53-34-18-21-39-19-10-12-28-45(39)53/h1-38H
InChIKeyIHAIEMFGMKMTCF-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

6-N-(9,9-diphenylfluoren-2-yl)-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine
CID 168775197
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
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
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
4-N-phenanthren-2-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915518
2-N-naphthalen-1-yl-2-N,8-N',8-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,8'-diamine
CID 134529814
N-phenyl-N-(8,11,11-triphenylbenzo[a]fluoren-6-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170373487
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
7'-chloro-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 165158317
2-N-naphthalen-1-yl-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791654
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
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-6-amine
CID 164929479

Frequently Asked Questions

What is the IUPAC name of 6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine?
The IUPAC name of 6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine (CID 168775270) is 6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine.
What is the SMILES notation for 6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine?
The canonical SMILES for 6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c(N(c4ccccc4)c4cccc5ccccc45)cc4ccccc4c32)cc1.
What is the InChIKey of 6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine?
The InChIKey is IHAIEMFGMKMTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2/c1-4-22-41(23-5-1)58(42-24-6-2-7-25-42)44-35-36-48-47-30-14-16-32-50(47)57(52(48)38-44)51-33-17-15-31-49(51)55-54(37-40-20-11-13-29-46(40)56(55)57)59(43-26-8-3-9-27-43)53-34-18-21-39-19-10-12-28-45(39)53/h1-38H.
What are the key properties of 6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine?
6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',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 6-N-naphthalen-1-yl-2-N',2-N',6-N-triphenylspiro[benzo[a]fluorene-11,9'-fluorene]-2',6-diamine is sourced from PubChem (CID 168775270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).