6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine

C100H65BrN4O4 — CID 160715053

IUPAC6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine
SMILESBrc1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccccc4c3)cccc12.c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2oc2c(N(c4ccc5ccccc5c4)c4ccc5oc6ccccc6c5c4)cccc23)cc1.c1ccc2cc(Nc3ccc4oc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C50H32N2O2.C28H18BrNO.C22H15NO/c1-2-16-37(17-3-1)51(38-26-24-33-12-4-6-14-35(33)30-38)45-21-10-19-42-43-20-11-22-46(50(43)54-49(42)45)52(39-27-25-34-13-5-7-15-36(34)31-39)40-28-29-48-44(32-40)41-18-8-9-23-47(41)53-48;29-25-14-6-12-23-24-13-7-15-26(28(24)31-27(23)25)30(21-10-2-1-3-11-21)22-17-16-19-8-4-5-9-20(19)18-22;1-2-6-16-13-17(10-9-15(16)5-1)23-18-11-12-22-20(14-18)19-7-3-4-8-21(19)24-22/h1-32H;1-18H;1-14,23H
InChIKeyRSIYVPZGNXKNAT-UHFFFAOYSA-N
MW1466.55 g/mol
LogP30.19
Rot. Bonds11

About 6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine

6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine (PubChem CID 160715053) has the molecular formula C100H65BrN4O4 and a molecular weight of 1466.55 g/mol. Its IUPAC name is 6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine.

Molecular Properties

Compound Name6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine
PubChem CID160715053
Molecular FormulaC100H65BrN4O4
Molecular Weight1466.55 g/mol
Exact Mass1464.42
IUPAC Name6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine
SMILESBrc1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccccc4c3)cccc12.c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2oc2c(N(c4ccc5ccccc5c4)c4ccc5oc6ccccc6c5c4)cccc23)cc1.c1ccc2cc(Nc3ccc4oc5ccccc5c4c3)ccc2c1
InChIInChI=1S/C50H32N2O2.C28H18BrNO.C22H15NO/c1-2-16-37(17-3-1)51(38-26-24-33-12-4-6-14-35(33)30-38)45-21-10-19-42-43-20-11-22-46(50(43)54-49(42)45)52(39-27-25-34-13-5-7-15-36(34)31-39)40-28-29-48-44(32-40)41-18-8-9-23-47(41)53-48;29-25-14-6-12-23-24-13-7-15-26(28(24)31-27(23)25)30(21-10-2-1-3-11-21)22-17-16-19-8-4-5-9-20(19)18-22;1-2-6-16-13-17(10-9-15(16)5-1)23-18-11-12-22-20(14-18)19-7-3-4-8-21(19)24-22/h1-32H;1-18H;1-14,23H
InChIKeyRSIYVPZGNXKNAT-UHFFFAOYSA-N
XLogP30.19
TPSA74.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001466.55
LogP ≤ 530.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine with MolForge

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Related Compounds

6-bromo-N-dibenzofuran-2-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 90125906
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
9-N,25-N-di(dibenzofuran-4-yl)-9-N,25-N-diphenyl-14,20-dioxaoctacyclo[15.15.0.03,15.04,13.06,11.019,31.021,30.023,28]dotriaconta-1,3(15),4(13),5,7,9,11,16,18,21(30),22,24,26,28,31-pentadecaene-9,25-diamine
CID 146497471
N,N-di(dibenzofuran-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804115
N-naphthalen-2-yl-N,16-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-amine
CID 171050314
8-N,23-N-di(dibenzofuran-2-yl)-8-N,23-N-di(dibenzofuran-4-yl)-13,18-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155362763
N-[4-[4-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 157350429
N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 170031315
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-diphenylpyrene-2,7-diamine
CID 123387446
N-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-N-phenyldibenzofuran-4-amine
CID 167412634
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804037
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine?
The IUPAC name of 6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine (CID 160715053) is 6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine.
What is the SMILES notation for 6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine?
The canonical SMILES for 6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine is Brc1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccccc4c3)cccc12.c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2oc2c(N(c4ccc5ccccc5c4)c4ccc5oc6ccccc6c5c4)cccc23)cc1.c1ccc2cc(Nc3ccc4oc5ccccc5c4c3)ccc2c1.
What is the InChIKey of 6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine?
The InChIKey is RSIYVPZGNXKNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O2.C28H18BrNO.C22H15NO/c1-2-16-37(17-3-1)51(38-26-24-33-12-4-6-14-35(33)30-38)45-21-10-19-42-43-20-11-22-46(50(43)54-49(42)45)52(39-27-25-34-13-5-7-15-36(34)31-39)40-28-29-48-44(32-40)41-18-8-9-23-47(41)53-48;29-25-14-6-12-23-24-13-7-15-26(28(24)31-27(23)25)30(21-10-2-1-3-11-21)22-17-16-19-8-4-5-9-20(19)18-22;1-2-6-16-13-17(10-9-15(16)5-1)23-18-11-12-22-20(14-18)19-7-3-4-8-21(19)24-22/h1-32H;1-18H;1-14,23H.
What are the key properties of 6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine?
6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine has a molecular weight of 1466.55 g/mol, XLogP of 30.19, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine;6-N-dibenzofuran-2-yl-4-N,6-N-dinaphthalen-2-yl-4-N-phenyldibenzofuran-4,6-diamine;N-naphthalen-2-yldibenzofuran-2-amine is sourced from PubChem (CID 160715053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).