N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene

C97H68BrNO2 — CID 164957469

IUPACN,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene
SMILESBrc1cccc2oc3ccccc3c12.c1ccc(-c2ccccc2-c2ccc(Cc3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H33NO.C37H28.C12H7BrO/c1-3-14-34(15-4-1)40-18-7-9-20-42(40)36-26-30-38(31-27-36)49(45-23-13-25-47-48(45)44-22-11-12-24-46(44)50-47)39-32-28-37(29-33-39)43-21-10-8-19-41(43)35-16-5-2-6-17-35;1-3-11-30(12-4-1)34-15-7-9-17-36(34)32-23-19-28(20-24-32)27-29-21-25-33(26-22-29)37-18-10-8-16-35(37)31-13-5-2-6-14-31;13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-33H;1-26H,27H2;1-7H
InChIKeyBJFNHIWLCUBHDJ-UHFFFAOYSA-N
MW1359.52 g/mol
LogP28.02
Rot. Bonds13

About N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene

N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene (PubChem CID 164957469) has the molecular formula C97H68BrNO2 and a molecular weight of 1359.52 g/mol. Its IUPAC name is N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene.

Molecular Properties

Compound NameN,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene
PubChem CID164957469
Molecular FormulaC97H68BrNO2
Molecular Weight1359.52 g/mol
Exact Mass1357.44
IUPAC NameN,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene
SMILESBrc1cccc2oc3ccccc3c12.c1ccc(-c2ccccc2-c2ccc(Cc3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C48H33NO.C37H28.C12H7BrO/c1-3-14-34(15-4-1)40-18-7-9-20-42(40)36-26-30-38(31-27-36)49(45-23-13-25-47-48(45)44-22-11-12-24-46(44)50-47)39-32-28-37(29-33-39)43-21-10-8-19-41(43)35-16-5-2-6-17-35;1-3-11-30(12-4-1)34-15-7-9-17-36(34)32-23-19-28(20-24-32)27-29-21-25-33(26-22-29)37-18-10-8-16-35(37)31-13-5-2-6-14-31;13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-33H;1-26H,27H2;1-7H
InChIKeyBJFNHIWLCUBHDJ-UHFFFAOYSA-N
XLogP28.02
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001359.52
LogP ≤ 528.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromodibenzofuran;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine;4-[4-[[4-(4-naphthalen-1-ylphenyl)phenyl]methyl]phenyl]dibenzofuran
CID 159126072
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186868
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186962
N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 122539866
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789686
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186765
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene?
The IUPAC name of N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene (CID 164957469) is N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene.
What is the SMILES notation for N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene?
The canonical SMILES for N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene is Brc1cccc2oc3ccccc3c12.c1ccc(-c2ccccc2-c2ccc(Cc3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4-c4ccccc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene?
The InChIKey is BJFNHIWLCUBHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO.C37H28.C12H7BrO/c1-3-14-34(15-4-1)40-18-7-9-20-42(40)36-26-30-38(31-27-36)49(45-23-13-25-47-48(45)44-22-11-12-24-46(44)50-47)39-32-28-37(29-33-39)43-21-10-8-19-41(43)35-16-5-2-6-17-35;1-3-11-30(12-4-1)34-15-7-9-17-36(34)32-23-19-28(20-24-32)27-29-21-25-33(26-22-29)37-18-10-8-16-35(37)31-13-5-2-6-14-31;13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-33H;1-26H,27H2;1-7H.
What are the key properties of N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene?
N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene has a molecular weight of 1359.52 g/mol, XLogP of 28.02, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;1-bromodibenzofuran;1-phenyl-2-[4-[[4-(2-phenylphenyl)phenyl]methyl]phenyl]benzene is sourced from PubChem (CID 164957469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).