1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine

C68H44Br2N2O2 — CID 160735039

IUPAC1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine
SMILESBrc1ccc(-c2ccccc2)c2oc3c(N(c4ccccc4)c4ccc5ccccc5c4)ccc(Br)c3c12.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5ccccc5c4)cccc23)cc1
InChIInChI=1S/C34H21Br2NO.C34H23NO/c35-28-18-17-27(23-10-3-1-4-11-23)33-31(28)32-29(36)19-20-30(34(32)38-33)37(25-13-5-2-6-14-25)26-16-15-22-9-7-8-12-24(22)21-26;1-3-12-25(13-4-1)29-17-9-18-30-31-19-10-20-32(34(31)36-33(29)30)35(27-15-5-2-6-16-27)28-22-21-24-11-7-8-14-26(24)23-28/h1-21H;1-23H
InChIKeyRUVLARVAHKUOGN-UHFFFAOYSA-N
MW1080.92 g/mol
LogP21.28
Rot. Bonds8

About 1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine

1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine (PubChem CID 160735039) has the molecular formula C68H44Br2N2O2 and a molecular weight of 1080.92 g/mol. Its IUPAC name is 1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound Name1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine
PubChem CID160735039
Molecular FormulaC68H44Br2N2O2
Molecular Weight1080.92 g/mol
Exact Mass1078.18
IUPAC Name1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine
SMILESBrc1ccc(-c2ccccc2)c2oc3c(N(c4ccccc4)c4ccc5ccccc5c4)ccc(Br)c3c12.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5ccccc5c4)cccc23)cc1
InChIInChI=1S/C34H21Br2NO.C34H23NO/c35-28-18-17-27(23-10-3-1-4-11-23)33-31(28)32-29(36)19-20-30(34(32)38-33)37(25-13-5-2-6-14-25)26-16-15-22-9-7-8-12-24(22)21-26;1-3-12-25(13-4-1)29-17-9-18-30-31-19-10-20-32(34(31)36-33(29)30)35(27-15-5-2-6-16-27)28-22-21-24-11-7-8-14-26(24)23-28/h1-21H;1-23H
InChIKeyRUVLARVAHKUOGN-UHFFFAOYSA-N
XLogP21.28
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.92
LogP ≤ 521.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine with MolForge

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Related Compounds

1,9-dibromo-6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine;6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 158002248
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
9-N,23-N-diphenyl-9-N,23-N-bis(6-phenyldibenzofuran-4-yl)-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155362515
N-dibenzofuran-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396874
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 167236501
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine
CID 90139814
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 87619571
N-dibenzofuran-3-yl-6-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167396499
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine
CID 168771854

Frequently Asked Questions

What is the IUPAC name of 1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine?
The IUPAC name of 1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine (CID 160735039) is 1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine.
What is the SMILES notation for 1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine?
The canonical SMILES for 1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine is Brc1ccc(-c2ccccc2)c2oc3c(N(c4ccccc4)c4ccc5ccccc5c4)ccc(Br)c3c12.c1ccc(-c2cccc3c2oc2c(N(c4ccccc4)c4ccc5ccccc5c4)cccc23)cc1.
What is the InChIKey of 1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine?
The InChIKey is RUVLARVAHKUOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21Br2NO.C34H23NO/c35-28-18-17-27(23-10-3-1-4-11-23)33-31(28)32-29(36)19-20-30(34(32)38-33)37(25-13-5-2-6-14-25)26-16-15-22-9-7-8-12-24(22)21-26;1-3-12-25(13-4-1)29-17-9-18-30-31-19-10-20-32(34(31)36-33(29)30)35(27-15-5-2-6-16-27)28-22-21-24-11-7-8-14-26(24)23-28/h1-21H;1-23H.
What are the key properties of 1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine?
1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine has a molecular weight of 1080.92 g/mol, XLogP of 21.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dibromo-N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine;N-naphthalen-2-yl-N,6-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 160735039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).