N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C48H35NO — CID 129301089

IUPACN-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC2Oc3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3C2C=C1
InChIInChI=1S/C48H35NO/c1-3-9-34(10-4-1)37-19-26-42(27-20-37)49(43-28-21-38(22-29-43)35-11-5-2-6-12-35)44-30-23-39(24-31-44)36-15-17-40(18-16-36)41-25-32-48-46(33-41)45-13-7-8-14-47(45)50-48/h1-33,45,47H
InChIKeyRZLSRVYKRJFSQO-UHFFFAOYSA-N
MW641.81 g/mol
LogP12.80
Rot. Bonds7

About N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 129301089) has the molecular formula C48H35NO and a molecular weight of 641.81 g/mol. Its IUPAC name is N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID129301089
Molecular FormulaC48H35NO
Molecular Weight641.81 g/mol
Exact Mass641.27
IUPAC NameN-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC1=CC2Oc3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3C2C=C1
InChIInChI=1S/C48H35NO/c1-3-9-34(10-4-1)37-19-26-42(27-20-37)49(43-28-21-38(22-29-43)35-11-5-2-6-12-35)44-30-23-39(24-31-44)36-15-17-40(18-16-36)41-25-32-48-46(33-41)45-13-7-8-14-47(45)50-48/h1-33,45,47H
InChIKeyRZLSRVYKRJFSQO-UHFFFAOYSA-N
XLogP12.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.81
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(4-anilinophenyl)phenyl]phenyl]-N-phenyl-5a,9a-dihydrodibenzofuran-3-amine
CID 129301080
9-[2-[3-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 166037349
8-[10-[4-(3-phenylnaphthalen-1-yl)phenyl]anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841482
(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran
CID 146532547
N-[4-(7a,11a-dihydronaphtho[2,1-b][1]benzofuran-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170126005
5a,9a-dihydrodibenzofuran-2-ylboronic acid
CID 140733083
N-[(1Z,3E)-4-[3-(5a,9a-dihydrodibenzofuran-2-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]buta-1,3-dienyl]methanimine
CID 163715029
8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841424
2-[(9aS)-5a,9a-dihydrodibenzofuran-2-yl]-3-chloropyridine
CID 146294855
4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134370557
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[3-(4-phenylphenyl)phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]aniline
CID 58672379
4-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118314823

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 129301089) is N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is C1=CC2Oc3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)cc4)cc3C2C=C1.
What is the InChIKey of N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is RZLSRVYKRJFSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NO/c1-3-9-34(10-4-1)37-19-26-42(27-20-37)49(43-28-21-38(22-29-43)35-11-5-2-6-12-35)44-30-23-39(24-31-44)36-15-17-40(18-16-36)41-25-32-48-46(33-41)45-13-7-8-14-47(45)50-48/h1-33,45,47H.
What are the key properties of N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 641.81 g/mol, XLogP of 12.80, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5a,9a-dihydrodibenzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 129301089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).