N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine

C103H65F6N5O5 — CID 163606190

IUPACN-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine
SMILESCC1CC=C(c2ccc3c(c2)c2ccc4oc5ccccc5c4c2n3CCn2c3ccc(-c4cccc(N(c5ccc(OC(F)=C(F)F)cc5)c5ccc6oc7ccccc7c6c5)c4)cc3c3ccc4oc5ccccc5c4c32)C=C1N(c1ccc(OC(F)=C(F)F)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C103H65F6N5O5/c1-60-26-27-66(58-89(60)113(70-37-42-74(43-38-70)116-103(109)101(106)107)69-33-28-61(29-34-69)63-32-48-88-81(55-63)75-18-5-9-22-87(75)114(88)67-15-3-2-4-16-67)65-31-47-86-83(57-65)78-45-51-95-97(80-21-8-12-25-92(80)119-95)99(78)111(86)53-52-110-85-46-30-64(56-82(85)77-44-50-94-96(98(77)110)79-20-7-11-24-91(79)118-94)62-14-13-17-71(54-62)112(68-35-40-73(41-36-68)115-102(108)100(104)105)72-39-49-93-84(59-72)76-19-6-10-23-90(76)117-93/h2-25,27-51,54-60H,26,52-53H2,1H3
InChIKeyHBZYJEPZLGALHX-UHFFFAOYSA-N
MW1566.67 g/mol
LogP30.17
Rot. Bonds17

About N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine

N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine (PubChem CID 163606190) has the molecular formula C103H65F6N5O5 and a molecular weight of 1566.67 g/mol. Its IUPAC name is N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine
PubChem CID163606190
Molecular FormulaC103H65F6N5O5
Molecular Weight1566.67 g/mol
Exact Mass1565.49
IUPAC NameN-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine
SMILESCC1CC=C(c2ccc3c(c2)c2ccc4oc5ccccc5c4c2n3CCn2c3ccc(-c4cccc(N(c5ccc(OC(F)=C(F)F)cc5)c5ccc6oc7ccccc7c6c5)c4)cc3c3ccc4oc5ccccc5c4c32)C=C1N(c1ccc(OC(F)=C(F)F)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C103H65F6N5O5/c1-60-26-27-66(58-89(60)113(70-37-42-74(43-38-70)116-103(109)101(106)107)69-33-28-61(29-34-69)63-32-48-88-81(55-63)75-18-5-9-22-87(75)114(88)67-15-3-2-4-16-67)65-31-47-86-83(57-65)78-45-51-95-97(80-21-8-12-25-92(80)119-95)99(78)111(86)53-52-110-85-46-30-64(56-82(85)77-44-50-94-96(98(77)110)79-20-7-11-24-91(79)118-94)62-14-13-17-71(54-62)112(68-35-40-73(41-36-68)115-102(108)100(104)105)72-39-49-93-84(59-72)76-19-6-10-23-90(76)117-93/h2-25,27-51,54-60H,26,52-53H2,1H3
InChIKeyHBZYJEPZLGALHX-UHFFFAOYSA-N
XLogP30.17
TPSA79.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001566.67
LogP ≤ 530.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine (CID 163606190) is N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine is CC1CC=C(c2ccc3c(c2)c2ccc4oc5ccccc5c4c2n3CCn2c3ccc(-c4cccc(N(c5ccc(OC(F)=C(F)F)cc5)c5ccc6oc7ccccc7c6c5)c4)cc3c3ccc4oc5ccccc5c4c32)C=C1N(c1ccc(OC(F)=C(F)F)cc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine?
The InChIKey is HBZYJEPZLGALHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H65F6N5O5/c1-60-26-27-66(58-89(60)113(70-37-42-74(43-38-70)116-103(109)101(106)107)69-33-28-61(29-34-69)63-32-48-88-81(55-63)75-18-5-9-22-87(75)114(88)67-15-3-2-4-16-67)65-31-47-86-83(57-65)78-45-51-95-97(80-21-8-12-25-92(80)119-95)99(78)111(86)53-52-110-85-46-30-64(56-82(85)77-44-50-94-96(98(77)110)79-20-7-11-24-91(79)118-94)62-14-13-17-71(54-62)112(68-35-40-73(41-36-68)115-102(108)100(104)105)72-39-49-93-84(59-72)76-19-6-10-23-90(76)117-93/h2-25,27-51,54-60H,26,52-53H2,1H3.
What are the key properties of N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine?
N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine has a molecular weight of 1566.67 g/mol, XLogP of 30.17, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[12-[2-[9-[4-methyl-5-[4-(9-phenylcarbazol-3-yl)-N-[4-(1,2,2-trifluoroethenoxy)phenyl]anilino]cyclohexa-1,5-dien-1-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]ethyl]-[1]benzofuro[3,2-a]carbazol-9-yl]phenyl]-N-[4-(1,2,2-trifluoroethenoxy)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 163606190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).