4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine

C36H24ClNO — CID 166975828

IUPAC4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
SMILESClc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2c1oc1ccccc12
InChIInChI=1S/C36H24ClNO/c37-32-23-24-33(35-31-13-7-8-14-34(31)39-36(32)35)38(29-19-15-27(16-20-29)25-9-3-1-4-10-25)30-21-17-28(18-22-30)26-11-5-2-6-12-26/h1-24H
InChIKeyATBFIUMUDAOJLO-UHFFFAOYSA-N
MW522.05 g/mol
LogP11.04
Rot. Bonds5

About 4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine

4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 166975828) has the molecular formula C36H24ClNO and a molecular weight of 522.05 g/mol. Its IUPAC name is 4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound Name4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID166975828
Molecular FormulaC36H24ClNO
Molecular Weight522.05 g/mol
Exact Mass521.15
IUPAC Name4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
SMILESClc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2c1oc1ccccc12
InChIInChI=1S/C36H24ClNO/c37-32-23-24-33(35-31-13-7-8-14-34(31)39-36(32)35)38(29-19-15-27(16-20-29)25-9-3-1-4-10-25)30-21-17-28(18-22-30)26-11-5-2-6-12-26/h1-24H
InChIKeyATBFIUMUDAOJLO-UHFFFAOYSA-N
XLogP11.04
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.05
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
4-(2-dibenzofuran-1-ylphenyl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176824526
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848086
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168848092
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-12-amine
CID 160898222
4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167087184
4-naphthalen-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069342
N,N-bis(4-phenylphenyl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-4-amine
CID 165037570
N-phenanthren-3-yl-N,4-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 176820694
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847848
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-N-[4-[2-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168847695
4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 171587141

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of 4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine (CID 166975828) is 4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine is Clc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c2c1oc1ccccc12.
What is the InChIKey of 4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is ATBFIUMUDAOJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24ClNO/c37-32-23-24-33(35-31-13-7-8-14-34(31)39-36(32)35)38(29-19-15-27(16-20-29)25-9-3-1-4-10-25)30-21-17-28(18-22-30)26-11-5-2-6-12-26/h1-24H.
What are the key properties of 4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine?
4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 522.05 g/mol, XLogP of 11.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 166975828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).