4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine

C43H29NO — CID 176624729

IUPAC4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(Nc3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C43H29NO/c1-3-14-29(15-4-1)33-26-27-39(41-36-22-9-12-25-40(36)45-42(33)41)44-32-19-13-18-31(28-32)43(30-16-5-2-6-17-30)37-23-10-7-20-34(37)35-21-8-11-24-38(35)43/h1-28,44H
InChIKeyDBGCSQRQJVPCBF-UHFFFAOYSA-N
MW575.71 g/mol
LogP11.36
Rot. Bonds5

About 4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine

4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine (PubChem CID 176624729) has the molecular formula C43H29NO and a molecular weight of 575.71 g/mol. Its IUPAC name is 4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
PubChem CID176624729
Molecular FormulaC43H29NO
Molecular Weight575.71 g/mol
Exact Mass575.22
IUPAC Name4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(Nc3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3c2oc2ccccc23)cc1
InChIInChI=1S/C43H29NO/c1-3-14-29(15-4-1)33-26-27-39(41-36-22-9-12-25-40(36)45-42(33)41)44-32-19-13-18-31(28-32)43(30-16-5-2-6-17-30)37-23-10-7-20-34(37)35-21-8-11-24-38(35)43/h1-28,44H
InChIKeyDBGCSQRQJVPCBF-UHFFFAOYSA-N
XLogP11.36
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 511.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 169305180
N-(3-naphthalen-1-ylphenyl)-4-phenyldibenzofuran-1-amine
CID 172544792
N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 175441653
9-(3-bromophenyl)-9-phenylfluorene;dibenzofuran-1-amine;N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 159911224
N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine
CID 166924260
4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran
CID 66686164
9,9-di(dibenzofuran-2-yl)-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 142453747
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
7-dibenzofuran-4-yl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 163679772
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine (CID 176624729) is 4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(Nc3cccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)c3)c3c2oc2ccccc23)cc1.
What is the InChIKey of 4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is DBGCSQRQJVPCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29NO/c1-3-14-29(15-4-1)33-26-27-39(41-36-22-9-12-25-40(36)45-42(33)41)44-32-19-13-18-31(28-32)43(30-16-5-2-6-17-30)37-23-10-7-20-34(37)35-21-8-11-24-38(35)43/h1-28,44H.
What are the key properties of 4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine?
4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 575.71 g/mol, XLogP of 11.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176624729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).