N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine

C49H33NO — CID 163432313

IUPACN-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5c4c3)cc2)cc1
InChIInChI=1S/C49H33NO/c1-4-15-34(16-5-1)35-27-29-38(30-28-35)50(37-19-8-3-9-20-37)39-31-32-46-42(33-39)48-45(25-14-26-47(48)51-46)49(36-17-6-2-7-18-36)43-23-12-10-21-40(43)41-22-11-13-24-44(41)49/h1-33H
InChIKeyIFTBUNFZTOYTSF-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.09
Rot. Bonds6

About N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine

N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 163432313) has the molecular formula C49H33NO and a molecular weight of 651.81 g/mol. Its IUPAC name is N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID163432313
Molecular FormulaC49H33NO
Molecular Weight651.81 g/mol
Exact Mass651.26
IUPAC NameN-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5c4c3)cc2)cc1
InChIInChI=1S/C49H33NO/c1-4-15-34(16-5-1)35-27-29-38(30-28-35)50(37-19-8-3-9-20-37)39-31-32-46-42(33-39)48-45(25-14-26-47(48)51-46)49(36-17-6-2-7-18-36)43-23-12-10-21-40(43)41-22-11-13-24-44(41)49/h1-33H
InChIKeyIFTBUNFZTOYTSF-UHFFFAOYSA-N
XLogP13.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline
CID 163630205
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
9-dibenzofuran-1-yl-N-[4-(2,9-diphenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176759858
9-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;8-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681079
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425112
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759838
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-(9,9-diphenylfluoren-2-yl)-16-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050339
3-N-dibenzofuran-2-yl-1-N-(3,4-diphenylphenyl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 162032569
3-N-dibenzofuran-2-yl-1-N-naphthalen-1-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096638
N-(3,5-diphenylphenyl)-N-phenyl-6-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 163589275

Frequently Asked Questions

What is the IUPAC name of N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 163432313) is N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5c4c3)cc2)cc1.
What is the InChIKey of N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is IFTBUNFZTOYTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33NO/c1-4-15-34(16-5-1)35-27-29-38(30-28-35)50(37-19-8-3-9-20-37)39-31-32-46-42(33-39)48-45(25-14-26-47(48)51-46)49(36-17-6-2-7-18-36)43-23-12-10-21-40(43)41-22-11-13-24-44(41)49/h1-33H.
What are the key properties of N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 651.81 g/mol, XLogP of 13.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-9-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 163432313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).