N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine

C67H43NO — CID 155304633

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4c(-c5cccc6ccccc56)c5ccccc5c5ccccc45)cc32)cc1
InChIInChI=1S/C67H43NO/c1-3-21-46(22-4-1)67(47-23-5-2-6-24-47)61-35-15-13-28-54(61)55-42-41-49(43-62(55)67)68(48-39-37-45(38-40-48)51-32-18-34-60-56-29-14-16-36-63(56)69-66(51)60)65-59-31-12-10-27-53(59)52-26-9-11-30-58(52)64(65)57-33-17-20-44-19-7-8-25-50(44)57/h1-43H
InChIKeyUBHIKRUOCAIYMG-UHFFFAOYSA-N
MW878.09 g/mol
LogP18.21
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine (PubChem CID 155304633) has the molecular formula C67H43NO and a molecular weight of 878.09 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine
PubChem CID155304633
Molecular FormulaC67H43NO
Molecular Weight878.09 g/mol
Exact Mass877.33
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4c(-c5cccc6ccccc56)c5ccccc5c5ccccc45)cc32)cc1
InChIInChI=1S/C67H43NO/c1-3-21-46(22-4-1)67(47-23-5-2-6-24-47)61-35-15-13-28-54(61)55-42-41-49(43-62(55)67)68(48-39-37-45(38-40-48)51-32-18-34-60-56-29-14-16-36-63(56)69-66(51)60)65-59-31-12-10-27-53(59)52-26-9-11-30-58(52)64(65)57-33-17-20-44-19-7-8-25-50(44)57/h1-43H
InChIKeyUBHIKRUOCAIYMG-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.09
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(2,6-dimethyl-4-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 118298114
N-(3-dibenzofuran-4-ylphenyl)-N-(5-naphthalen-1-yl-2-phenylphenyl)-9,9-diphenylfluoren-2-amine
CID 167234337
N-(9,9-diphenylfluoren-3-yl)-10-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]phenanthren-9-amine
CID 155303863
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121383311
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-7-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-ylfluoren-2-amine
CID 130380116
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-2-amine
CID 170676879
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N,9,9-triphenylfluoren-2-amine
CID 177121964
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine (CID 155304633) is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4c(-c5cccc6ccccc56)c5ccccc5c5ccccc45)cc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine?
The InChIKey is UBHIKRUOCAIYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H43NO/c1-3-21-46(22-4-1)67(47-23-5-2-6-24-47)61-35-15-13-28-54(61)55-42-41-49(43-62(55)67)68(48-39-37-45(38-40-48)51-32-18-34-60-56-29-14-16-36-63(56)69-66(51)60)65-59-31-12-10-27-53(59)52-26-9-11-30-58(52)64(65)57-33-17-20-44-19-7-8-25-50(44)57/h1-43H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine has a molecular weight of 878.09 g/mol, XLogP of 18.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-naphthalen-1-ylphenanthren-9-amine is sourced from PubChem (CID 155304633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).