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

C53H35NO — CID 172544755

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5oc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C53H35NO/c1-3-17-40(18-4-1)53(41-19-5-2-6-20-41)45-23-11-9-21-43(45)51-46(53)24-13-25-47(51)54(48-26-14-28-50-52(48)44-22-10-12-27-49(44)55-50)42-33-31-37(32-34-42)39-30-29-36-15-7-8-16-38(36)35-39/h1-35H
InChIKeyKWDPXFNOJWQXPA-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.24
Rot. Bonds6

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

N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 172544755) has the molecular formula C53H35NO and a molecular weight of 701.87 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID172544755
Molecular FormulaC53H35NO
Molecular Weight701.87 g/mol
Exact Mass701.27
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5oc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C53H35NO/c1-3-17-40(18-4-1)53(41-19-5-2-6-20-41)45-23-11-9-21-43(45)51-46(53)24-13-25-47(51)54(48-26-14-28-50-52(48)44-22-10-12-27-49(44)55-50)42-33-31-37(32-34-42)39-30-29-36-15-7-8-16-38(36)35-39/h1-35H
InChIKeyKWDPXFNOJWQXPA-UHFFFAOYSA-N
XLogP14.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 157466477
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-4-amine
CID 166565972
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 146251209
N-(9,9-diphenylfluoren-4-yl)-N-(10-naphthalen-2-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155305219
N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020516
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 121391790
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-7-naphthalen-2-ylfluoren-2-amine
CID 135193217
N-(4-dibenzofuran-3-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167330275
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
CID 155096765
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 166566442
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine (CID 172544755) is N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5oc6ccccc6c45)cccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is KWDPXFNOJWQXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35NO/c1-3-17-40(18-4-1)53(41-19-5-2-6-20-41)45-23-11-9-21-43(45)51-46(53)24-13-25-47(51)54(48-26-14-28-50-52(48)44-22-10-12-27-49(44)55-50)42-33-31-37(32-34-42)39-30-29-36-15-7-8-16-38(36)35-39/h1-35H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine has a molecular weight of 701.87 g/mol, XLogP of 14.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 172544755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).