N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine

C178H114BrN7O11 — CID 157095416

IUPACN-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine
SMILESBrc1ccc2ccc3c(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccc(OCCOc6ccc(N(c7ccc8ccc9c(N(c%10ccccc%10)c%10cccc%11c%10oc%10ccccc%10%11)ccc%10ccc7c8c%109)c7cccc8c7oc7ccccc78)cc6)cc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)oc1c(Nc3ccc(OCCOc4ccc(Nc5cccc6c5oc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C106H66N4O6.C38H28N2O4.C34H20BrNO/c1-3-19-69(20-4-1)107(91-31-15-27-79-75-23-7-11-35-95(75)113-103(79)91)87-59-43-65-41-57-85-89(61-45-67-39-55-83(87)99(65)101(67)85)109(93-33-17-29-81-77-25-9-13-37-97(77)115-105(81)93)71-47-51-73(52-48-71)111-63-64-112-74-53-49-72(50-54-74)110(94-34-18-30-82-78-26-10-14-38-98(78)116-106(82)94)90-62-46-68-40-56-84-88(60-44-66-42-58-86(90)102(68)100(66)84)108(70-21-5-2-6-22-70)92-32-16-28-80-76-24-8-12-36-96(76)114-104(80)92;1-3-13-35-29(7-1)31-9-5-11-33(37(31)43-35)39-25-15-19-27(20-16-25)41-23-24-42-28-21-17-26(18-22-28)40-34-12-6-10-32-30-8-2-4-14-36(30)44-38(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/h1-62H,63-64H2;1-22,39-40H,23-24H2;1-20H
InChIKeyAFDQMHNDVPBUCC-UHFFFAOYSA-N
MW2606.81 g/mol
LogP51.56
Rot. Bonds29

About N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine

N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine (PubChem CID 157095416) has the molecular formula C178H114BrN7O11 and a molecular weight of 2606.81 g/mol. Its IUPAC name is N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine.

Molecular Properties

Compound NameN-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine
PubChem CID157095416
Molecular FormulaC178H114BrN7O11
Molecular Weight2606.81 g/mol
Exact Mass2603.78
IUPAC NameN-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine
SMILESBrc1ccc2ccc3c(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccc(OCCOc6ccc(N(c7ccc8ccc9c(N(c%10ccccc%10)c%10cccc%11c%10oc%10ccccc%10%11)ccc%10ccc7c8c%109)c7cccc8c7oc7ccccc78)cc6)cc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)oc1c(Nc3ccc(OCCOc4ccc(Nc5cccc6c5oc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C106H66N4O6.C38H28N2O4.C34H20BrNO/c1-3-19-69(20-4-1)107(91-31-15-27-79-75-23-7-11-35-95(75)113-103(79)91)87-59-43-65-41-57-85-89(61-45-67-39-55-83(87)99(65)101(67)85)109(93-33-17-29-81-77-25-9-13-37-97(77)115-105(81)93)71-47-51-73(52-48-71)111-63-64-112-74-53-49-72(50-54-74)110(94-34-18-30-82-78-26-10-14-38-98(78)116-106(82)94)90-62-46-68-40-56-84-88(60-44-66-42-58-86(90)102(68)100(66)84)108(70-21-5-2-6-22-70)92-32-16-28-80-76-24-8-12-36-96(76)114-104(80)92;1-3-13-35-29(7-1)31-9-5-11-33(37(31)43-35)39-25-15-19-27(20-16-25)41-23-24-42-28-21-17-26(18-22-28)40-34-12-6-10-32-30-8-2-4-14-36(30)44-38(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/h1-62H,63-64H2;1-22,39-40H,23-24H2;1-20H
InChIKeyAFDQMHNDVPBUCC-UHFFFAOYSA-N
XLogP51.56
TPSA169.16 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms197
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002606.81
LogP ≤ 551.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine with MolForge

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Related Compounds

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
4-(4-benzylphenyl)dibenzofuran;1-N,6-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine;1,6-dibromopyrene
CID 160546019
1,6-dibromopyrene;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis[2,7-di(propan-2-yl)naphthalen-1-yl]pyrene-1,6-diamine;N-[2,7-di(propan-2-yl)naphthalen-1-yl]dibenzofuran-4-amine
CID 159465643
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine
CID 146822139
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
N-[6-(3-dibenzofuran-4-yl-2-phenylpropyl)pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 163956670
N-benzo[g]phenanthren-4-yl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167183208
N-(6-bromopyren-1-yl)-N-phenylpyrimidin-2-amine;N-phenylaniline;1-N,6-N,6-N-triphenyl-1-N-pyrimidin-2-ylpyrene-1,6-diamine
CID 160785700
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
6-N-dibenzofuran-4-yl-3,8-dimethyl-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine
CID 144918659
1-N,6-N-di(dibenzofuran-4-yl)-1-N-(6-phenyl-1λ3-iodacyclohexa-2,4,6-trien-3-yl)-6-N-(4-phenylphenyl)pyrene-1,6-diamine
CID 144918841
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410

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)phenoxy]ethoxy]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]phenoxy]ethoxy]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)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine (CID 157095416) is N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]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)phenoxy]ethoxy]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]phenoxy]ethoxy]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)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine is Brc1ccc2ccc3c(N(c4ccccc4)c4cccc5c4oc4ccccc45)ccc4ccc1c2c43.c1ccc(N(c2ccc3ccc4c(N(c5ccc(OCCOc6ccc(N(c7ccc8ccc9c(N(c%10ccccc%10)c%10cccc%11c%10oc%10ccccc%10%11)ccc%10ccc7c8c%109)c7cccc8c7oc7ccccc78)cc6)cc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)oc1c(Nc3ccc(OCCOc4ccc(Nc5cccc6c5oc5ccccc56)cc4)cc3)cccc12.
What is the InChIKey of N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine?
The InChIKey is AFDQMHNDVPBUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H66N4O6.C38H28N2O4.C34H20BrNO/c1-3-19-69(20-4-1)107(91-31-15-27-79-75-23-7-11-35-95(75)113-103(79)91)87-59-43-65-41-57-85-89(61-45-67-39-55-83(87)99(65)101(67)85)109(93-33-17-29-81-77-25-9-13-37-97(77)115-105(81)93)71-47-51-73(52-48-71)111-63-64-112-74-53-49-72(50-54-74)110(94-34-18-30-82-78-26-10-14-38-98(78)116-106(82)94)90-62-46-68-40-56-84-88(60-44-66-42-58-86(90)102(68)100(66)84)108(70-21-5-2-6-22-70)92-32-16-28-80-76-24-8-12-36-96(76)114-104(80)92;1-3-13-35-29(7-1)31-9-5-11-33(37(31)43-35)39-25-15-19-27(20-16-25)41-23-24-42-28-21-17-26(18-22-28)40-34-12-6-10-32-30-8-2-4-14-36(30)44-38(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/h1-62H,63-64H2;1-22,39-40H,23-24H2;1-20H.
What are the key properties of N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine?
N-(6-bromopyren-1-yl)-N-phenyldibenzofuran-4-amine;N-[4-[2-[4-(dibenzofuran-4-ylamino)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine has a molecular weight of 2606.81 g/mol, XLogP of 51.56, 29 rotatable bonds, 2 hydrogen bond donors, and 18 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)phenoxy]ethoxy]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]phenoxy]ethoxy]phenyl]-6-N-phenylpyrene-1,6-diamine is sourced from PubChem (CID 157095416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).