N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C64H43N — CID 146247670

IUPACN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4ccc(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5)cc43)c3ccccc32)cc1
InChIInChI=1S/C64H43N/c1-3-23-48(24-4-1)63(49-25-5-2-6-26-49)56-31-13-15-33-58(56)64(59-34-16-14-32-57(59)63)55-30-12-11-29-53(55)54-42-39-47(43-60(54)64)44-37-40-50(41-38-44)65(61-35-17-21-45-19-7-9-27-51(45)61)62-36-18-22-46-20-8-10-28-52(46)62/h1-43H
InChIKeyUGKCRQZBPSXWMR-UHFFFAOYSA-N
MW826.06 g/mol
LogP16.19
Rot. Bonds6

About N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 146247670) has the molecular formula C64H43N and a molecular weight of 826.06 g/mol. Its IUPAC name is N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID146247670
Molecular FormulaC64H43N
Molecular Weight826.06 g/mol
Exact Mass825.34
IUPAC NameN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4ccc(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5)cc43)c3ccccc32)cc1
InChIInChI=1S/C64H43N/c1-3-23-48(24-4-1)63(49-25-5-2-6-26-49)56-31-13-15-33-58(56)64(59-34-16-14-32-57(59)63)55-30-12-11-29-53(55)54-42-39-47(43-60(54)64)44-37-40-50(41-38-44)65(61-35-17-21-45-19-7-9-27-51(45)61)62-36-18-22-46-20-8-10-28-52(46)62/h1-43H
InChIKeyUGKCRQZBPSXWMR-UHFFFAOYSA-N
XLogP16.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.06
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-phenyl-N-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 146247516
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346
9,10-bis(9,9-diphenylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetranaphthalen-1-ylanthracene-2,6-diamine
CID 59136653
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167325973
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
CID 145144949
N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 169019837
4-[4-[4-(9,9-diphenylfluoren-2-yl)-N-(2-naphthalen-1-ylphenyl)anilino]-3-methylphenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-methyl-N-(2-naphthalen-1-ylphenyl)aniline
CID 121323130

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 146247670) is N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is c1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4ccc(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5)cc43)c3ccccc32)cc1.
What is the InChIKey of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is UGKCRQZBPSXWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N/c1-3-23-48(24-4-1)63(49-25-5-2-6-26-49)56-31-13-15-33-58(56)64(59-34-16-14-32-57(59)63)55-30-12-11-29-53(55)54-42-39-47(43-60(54)64)44-37-40-50(41-38-44)65(61-35-17-21-45-19-7-9-27-51(45)61)62-36-18-22-46-20-8-10-28-52(46)62/h1-43H.
What are the key properties of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 826.06 g/mol, XLogP of 16.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 146247670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).