aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline

C174H167Br3N8 — CID 159384052

About aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline

aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline (PubChem CID 159384052) has the molecular formula C174H167Br3N8 and a molecular weight of 2610.02 g/mol. Its IUPAC name is aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline.

Molecular Properties

• Compound Name: aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline
• PubChem CID: 159384052
• Molecular Formula: C174H167Br3N8
• Molecular Weight: 2610.02 g/mol
• Exact Mass: 2605.09
• IUPAC Name: aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline
• SMILES: Brc1ccc(-c2ccc(Br)cc2)cc1.Brc1ccccc1.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6)cc5)c5cccc(-c6ccc7c(c6)CC7)c5)cc4)cc3)cc21.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N)cc21.Nc1cccc(-c2ccc3c(c2)CC3)c1.Nc1ccccc1.c1ccc(Nc2ccccc2)cc1
• InChI: InChI=1S/C99H88N4.C25H35N.C14H13N.C12H8Br2.C12H11N.C6H5Br.C6H7N/c1-3-5-7-23-68-99(69-24-8-6-4-2)97-37-22-21-36-95(97)96-67-66-94(72-98(96)99)102(86-33-19-12-20-34-86)90-60-48-76(49-61-90)78-52-64-92(65-53-78)103(93-35-25-26-80(71-93)82-41-39-79-38-40-81(79)70-82)91-62-50-77(51-63-91)75-46-58-89(59-47-75)101(85-31-17-11-18-32-85)88-56-44-74(45-57-88)73-42-54-87(55-43-73)100(83-27-13-9-14-28-83)84-29-15-10-16-30-84;1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26)19-24(22)25;15-14-3-1-2-11(9-14)13-7-5-10-4-6-12(10)8-13;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*7-6-4-2-1-3-5-6/h9-22,25-37,39,41-67,70-72H,3-8,23-24,38,40,68-69H2,1-2H3;9-10,13-16,19H,3-8,11-12,17-18,26H2,1-2H3;1-3,5,7-9H,4,6,15H2;1-8H;1-10,13H;1-5H;1-5H,7H2
• InChIKey: LLGTZZHVXCFNEB-UHFFFAOYSA-N
• XLogP: 51.08
• TPSA: 103.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 40
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2610.02
LogP ≤ 5	51.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline?

The IUPAC name of aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline (CID 159384052) is aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline.

What is the SMILES notation for aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline?

The canonical SMILES for aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline is Brc1ccc(-c2ccc(Br)cc2)cc1.Brc1ccccc1.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)cc6)cc5)c5cccc(-c6ccc7c(c6)CC7)c5)cc4)cc3)cc21.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N)cc21.Nc1cccc(-c2ccc3c(c2)CC3)c1.Nc1ccccc1.c1ccc(Nc2ccccc2)cc1.

What is the InChIKey of aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline?

The InChIKey is LLGTZZHVXCFNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H88N4.C25H35N.C14H13N.C12H8Br2.C12H11N.C6H5Br.C6H7N/c1-3-5-7-23-68-99(69-24-8-6-4-2)97-37-22-21-36-95(97)96-67-66-94(72-98(96)99)102(86-33-19-12-20-34-86)90-60-48-76(49-61-90)78-52-64-92(65-53-78)103(93-35-25-26-80(71-93)82-41-39-79-38-40-81(79)70-82)91-62-50-77(51-63-91)75-46-58-89(59-47-75)101(85-31-17-11-18-32-85)88-56-44-74(45-57-88)73-42-54-87(55-43-73)100(83-27-13-9-14-28-83)84-29-15-10-16-30-84;1-3-5-7-11-17-25(18-12-8-6-4-2)23-14-10-9-13-21(23)22-16-15-20(26)19-24(22)25;15-14-3-1-2-11(9-14)13-7-5-10-4-6-12(10)8-13;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*7-6-4-2-1-3-5-6/h9-22,25-37,39,41-67,70-72H,3-8,23-24,38,40,68-69H2,1-2H3;9-10,13-16,19H,3-8,11-12,17-18,26H2,1-2H3;1-3,5,7-9H,4,6,15H2;1-8H;1-10,13H;1-5H;1-5H,7H2.

What are the key properties of aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline?

aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline has a molecular weight of 2610.02 g/mol, XLogP of 51.08, 40 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for aniline;3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)aniline;N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;bromobenzene;1-bromo-4-(4-bromophenyl)benzene;9,9-dihexylfluoren-2-amine;N-phenylaniline is sourced from PubChem (CID 159384052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).