N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine

C180H118BrN7O7 — CID 160842359

About N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine

N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine (PubChem CID 160842359) has the molecular formula C180H118BrN7O7 and a molecular weight of 2570.87 g/mol. Its IUPAC name is N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine.

Molecular Properties

• Compound Name: N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine
• PubChem CID: 160842359
• Molecular Formula: C180H118BrN7O7
• Molecular Weight: 2570.87 g/mol
• Exact Mass: 2567.83
• IUPAC Name: N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine
• SMILES: Brc1ccc2ccc3c(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc4ccc1c2c43.CC(C)(c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1)c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.CC(C)(c1ccc(Nc2cccc3c2oc2ccccc23)cc1)c1ccc(Nc2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C107H68N4O4.C39H30N2O2.C34H20BrNO/c1-107(2,69-49-53-73(54-50-69)110(93-35-19-31-81-77-27-11-15-39-97(77)114-105(81)93)89-63-47-67-41-57-83-87(61-45-65-43-59-85(89)101(67)99(65)83)108(71-21-5-3-6-22-71)91-33-17-29-79-75-25-9-13-37-95(75)112-103(79)91)70-51-55-74(56-52-70)111(94-36-20-32-82-78-28-12-16-40-98(78)115-106(82)94)90-64-48-68-42-58-84-88(62-46-66-44-60-86(90)102(68)100(66)84)109(72-23-7-4-8-24-72)92-34-18-30-80-76-26-10-14-38-96(76)113-104(80)92;1-39(2,25-17-21-27(22-18-25)40-33-13-7-11-31-29-9-3-5-15-35(29)42-37(31)33)26-19-23-28(24-20-26)41-34-14-8-12-32-30-10-4-6-16-36(30)43-38(32)34;35-28-19-15-21-14-18-27-29(20-16-22-13-17-26(28)32(21)33(22)27)36(23-7-2-1-3-8-23)30-11-6-10-25-24-9-4-5-12-31(24)37-34(25)30/h3-64H,1-2H3;3-24,40-41H,1-2H3;1-20H
• InChIKey: SIESMMHAZGQTRB-UHFFFAOYSA-N
• XLogP: 53.30
• TPSA: 132.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2570.87
LogP ≤ 5	53.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine?

The IUPAC name of N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine (CID 160842359) is N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine.

What is the SMILES notation for N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine?

The canonical SMILES for N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine is Brc1ccc2ccc3c(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc4ccc1c2c43.CC(C)(c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1)c1ccc(N(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.CC(C)(c1ccc(Nc2cccc3c2oc2ccccc23)cc1)c1ccc(Nc2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine?

The InChIKey is SIESMMHAZGQTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H68N4O4.C39H30N2O2.C34H20BrNO/c1-107(2,69-49-53-73(54-50-69)110(93-35-19-31-81-77-27-11-15-39-97(77)114-105(81)93)89-63-47-67-41-57-83-87(61-45-65-43-59-85(89)101(67)99(65)83)108(71-21-5-3-6-22-71)91-33-17-29-79-75-25-9-13-37-95(75)112-103(79)91)70-51-55-74(56-52-70)111(94-36-20-32-82-78-28-12-16-40-98(78)115-106(82)94)90-64-48-68-42-58-84-88(62-46-66-44-60-86(90)102(68)100(66)84)109(72-23-7-4-8-24-72)92-34-18-30-80-76-26-10-14-38-96(76)113-104(80)92;1-39(2,25-17-21-27(22-18-25)40-33-13-7-11-31-29-9-3-5-15-35(29)42-37(31)33)26-19-23-28(24-20-26)41-34-14-8-12-32-30-10-4-6-16-36(30)43-38(32)34;35-28-19-15-21-14-18-27-29(20-16-22-13-17-26(28)32(21)33(22)27)36(23-7-2-1-3-8-23)30-11-6-10-25-24-9-4-5-12-31(24)37-34(25)30/h3-64H,1-2H3;3-24,40-41H,1-2H3;1-20H.

What are the key properties of N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine?

N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine has a molecular weight of 2570.87 g/mol, XLogP of 53.30, 23 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenyl]propan-2-yl]phenyl]dibenzofuran-4-amine;1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]propan-2-yl]phenyl]-6-N-phenylpyrene-1,6-diamine is sourced from PubChem (CID 160842359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).