N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine

C58H39N — CID 146247516

IUPACN,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc43)c3ccccc32)cc1
InChIInChI=1S/C58H39N/c1-3-23-42(24-4-1)57(43-25-5-2-6-26-43)51-31-13-15-33-53(51)58(54-34-16-14-32-52(54)57)49-30-12-11-29-47(49)48-39-44(37-38-50(48)58)59(55-35-17-21-40-19-7-9-27-45(40)55)56-36-18-22-41-20-8-10-28-46(41)56/h1-39H
InChIKeyLYZRQPNJEFCZDL-UHFFFAOYSA-N
MW749.96 g/mol
LogP14.52
Rot. Bonds5

About N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine

N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine (PubChem CID 146247516) has the molecular formula C58H39N and a molecular weight of 749.96 g/mol. Its IUPAC name is N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
PubChem CID146247516
Molecular FormulaC58H39N
Molecular Weight749.96 g/mol
Exact Mass749.31
IUPAC NameN,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc43)c3ccccc32)cc1
InChIInChI=1S/C58H39N/c1-3-23-42(24-4-1)57(43-25-5-2-6-26-43)51-31-13-15-33-53(51)58(54-34-16-14-32-52(54)57)49-30-12-11-29-47(49)48-39-44(37-38-50(48)58)59(55-35-17-21-40-19-7-9-27-45(40)55)56-36-18-22-41-20-8-10-28-46(41)56/h1-39H
InChIKeyLYZRQPNJEFCZDL-UHFFFAOYSA-N
XLogP14.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 146247670
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159359844
N-naphthalen-1-yl-N,9,9,10,10-pentakis-phenylphenanthren-3-amine
CID 163943701
N-naphthalen-1-yl-9,9-diphenyl-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 168853270
N-naphthalen-1-yl-N-(4-phenylnaphthalen-1-yl)spiro[fluorene-9,9'-xanthene]-3-amine
CID 167178058
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,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423683
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-N-naphthalen-1-yl-9-phenylfluoren-3-amine
CID 171453734
N-(9,9-diphenylfluoren-3-yl)-N-(4-phenanthren-3-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423713
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-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522

Frequently Asked Questions

What is the IUPAC name of N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine?
The IUPAC name of N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine (CID 146247516) is N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine.
What is the SMILES notation for N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine?
The canonical SMILES for N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine is c1ccc(C2(c3ccccc3)c3ccccc3C3(c4ccccc4-c4cc(N(c5cccc6ccccc56)c5cccc6ccccc56)ccc43)c3ccccc32)cc1.
What is the InChIKey of N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine?
The InChIKey is LYZRQPNJEFCZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N/c1-3-23-42(24-4-1)57(43-25-5-2-6-26-43)51-31-13-15-33-53(51)58(54-34-16-14-32-52(54)57)49-30-12-11-29-47(49)48-39-44(37-38-50(48)58)59(55-35-17-21-40-19-7-9-27-45(40)55)56-36-18-22-41-20-8-10-28-46(41)56/h1-39H.
What are the key properties of N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine?
N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine has a molecular weight of 749.96 g/mol, XLogP of 14.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine is sourced from PubChem (CID 146247516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).