N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline

C59H39N — CID 156524799

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C59H39N/c1-2-18-43(19-3-1)60(44-36-32-41(33-37-44)47-26-14-17-40-16-4-5-20-46(40)47)45-38-34-42(35-39-45)48-21-6-7-22-49(48)52-27-15-31-57-58(52)53-25-10-13-30-56(53)59(57)54-28-11-8-23-50(54)51-24-9-12-29-55(51)59/h1-39H
InChIKeyMOWHZLXPFQCZMU-UHFFFAOYSA-N
MW761.97 g/mol
LogP15.65
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline (PubChem CID 156524799) has the molecular formula C59H39N and a molecular weight of 761.97 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
PubChem CID156524799
Molecular FormulaC59H39N
Molecular Weight761.97 g/mol
Exact Mass761.31
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
SMILESc1ccc(N(c2ccc(-c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C59H39N/c1-2-18-43(19-3-1)60(44-36-32-41(33-37-44)47-26-14-17-40-16-4-5-20-46(40)47)45-38-34-42(35-39-45)48-21-6-7-22-49(48)52-27-15-31-57-58(52)53-25-10-13-30-56(53)59(57)54-28-11-8-23-50(54)51-24-9-12-29-55(51)59/h1-39H
InChIKeyMOWHZLXPFQCZMU-UHFFFAOYSA-N
XLogP15.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.97
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134240776
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 169019849
9,9-dinaphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)fluoren-4-amine
CID 169019816
11,11-dimethyl-N-phenyl-N-[4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]benzo[a]fluoren-8-amine
CID 156524620
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[3-(6-phenyl-9,9'-spirobi[fluorene]-4-yl)phenyl]phenyl]aniline
CID 129256107
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 169020437
2-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 169020447
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 170117389
N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421393
N-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 139355095
4-(9,9-diphenylfluoren-4-yl)-N,N-bis(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 169019822
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 142481230

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline (CID 156524799) is N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline is c1ccc(N(c2ccc(-c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline?
The InChIKey is MOWHZLXPFQCZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N/c1-2-18-43(19-3-1)60(44-36-32-41(33-37-44)47-26-14-17-40-16-4-5-20-46(40)47)45-38-34-42(35-39-45)48-21-6-7-22-49(48)52-27-15-31-57-58(52)53-25-10-13-30-56(53)59(57)54-28-11-8-23-50(54)51-24-9-12-29-55(51)59/h1-39H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline has a molecular weight of 761.97 g/mol, XLogP of 15.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-phenyl-4-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline is sourced from PubChem (CID 156524799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).