8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine

C61H41NO — CID 176759838

IUPAC8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(C4(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccccc54)cc3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)c2)cc1
InChIInChI=1S/C61H41NO/c1-4-17-42(18-5-1)45-23-14-25-49(39-45)61(55-29-12-10-27-52(55)53-28-11-13-30-56(53)61)48-34-36-50(37-35-48)62(51-26-15-24-46(40-51)43-19-6-2-7-20-43)57-31-16-32-59-60(57)54-41-47(33-38-58(54)63-59)44-21-8-3-9-22-44/h1-41H
InChIKeyVBRKWYPGLVZIEK-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.42
Rot. Bonds8

About 8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine

8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine (PubChem CID 176759838) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is 8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
PubChem CID176759838
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC Name8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc(C4(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccccc54)cc3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)c2)cc1
InChIInChI=1S/C61H41NO/c1-4-17-42(18-5-1)45-23-14-25-49(39-45)61(55-29-12-10-27-52(55)53-28-11-13-30-56(53)61)48-34-36-50(37-35-48)62(51-26-15-24-46(40-51)43-19-6-2-7-20-43)57-31-16-32-59-60(57)54-41-47(33-38-58(54)63-59)44-21-8-3-9-22-44/h1-41H
InChIKeyVBRKWYPGLVZIEK-UHFFFAOYSA-N
XLogP16.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-phenyl-N-(4-phenylphenyl)-8-[9-(4-phenylphenyl)fluoren-9-yl]dibenzofuran-1-amine
CID 163681080
N-(4-dibenzofuran-1-ylphenyl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759950
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759722
N-phenyl-N-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-11-amine
CID 169293098
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759756
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759880
8-phenyl-N-(9-phenyldibenzothiophen-2-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 170045111
N-[8-[4-(1-adamantyl)phenyl]dibenzofuran-1-yl]-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine
CID 176759710
2-(9-naphthalen-2-yldibenzofuran-2-yl)-N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)fluoren-9-yl]phenyl]aniline
CID 176759929

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The IUPAC name of 8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine (CID 176759838) is 8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for 8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc(N(c3ccc(C4(c5cccc(-c6ccccc6)c5)c5ccccc5-c5ccccc54)cc3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)c2)cc1.
What is the InChIKey of 8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
The InChIKey is VBRKWYPGLVZIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-4-17-42(18-5-1)45-23-14-25-49(39-45)61(55-29-12-10-27-52(55)53-28-11-13-30-56(53)61)48-34-36-50(37-35-48)62(51-26-15-24-46(40-51)43-19-6-2-7-20-43)57-31-16-32-59-60(57)54-41-47(33-38-58(54)63-59)44-21-8-3-9-22-44/h1-41H.
What are the key properties of 8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine?
8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine has a molecular weight of 804.01 g/mol, XLogP of 16.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-N-(3-phenylphenyl)-N-[4-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176759838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).