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

C229H224Br5N5 — CID 159129051

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

N-[4-[4-[1-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;1,4-bis(4-bromophenyl)benzene;3-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene;bromobenzene;9,9-dihexylfluoren-2-amine;methane;N-phenylaniline (PubChem CID 159129051) has the molecular formula C229H224Br5N5 and a molecular weight of 3445.87 g/mol. Its IUPAC name is N-[4-[4-[1-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;1,4-bis(4-bromophenyl)benzene;3-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene;bromobenzene;9,9-dihexylfluoren-2-amine;methane;N-phenylaniline.

Molecular Properties

• Compound Name: N-[4-[4-[1-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;1,4-bis(4-bromophenyl)benzene;3-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene;bromobenzene;9,9-dihexylfluoren-2-amine;methane;N-phenylaniline
• PubChem CID: 159129051
• Molecular Formula: C229H224Br5N5
• Molecular Weight: 3445.87 g/mol
• Exact Mass: 3438.36
• IUPAC Name: N-[4-[4-[1-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;1,4-bis(4-bromophenyl)benzene;3-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene;bromobenzene;9,9-dihexylfluoren-2-amine;methane;N-phenylaniline
• SMILES: Brc1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1.Brc1ccccc1.C.C.CC(c1ccc(-c2ccc(Br)cc2)cc1)(c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(-c2ccc3c(c2)CC3)cc1.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C(C)(c5ccc(-c6ccc(N(c7ccc(-c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9)cc8)cc7)c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7ccccc7-8)cc6)cc5)c5ccc(-c6ccc7c(c6)CC7)cc5)cc4)cc3)cc21.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N)cc21.c1ccc(Nc2ccccc2)cc1
• InChI: InChI=1S/C126H123N3.C40H30Br2.C25H35N.C18H12Br2.C12H11N.C6H5Br.2CH4/c1-6-10-14-31-85-125(86-32-15-11-7-2)120-43-29-27-41-116(120)118-83-81-114(90-122(118)125)128(109-39-25-20-26-40-109)111-75-63-98(64-76-111)94-53-67-104(68-54-94)124(5,106-71-57-101(58-72-106)103-52-50-100-49-51-102(100)89-103)105-69-55-95(56-70-105)99-65-79-113(80-66-99)129(115-82-84-119-117-42-28-30-44-121(117)126(123(119)91-115,87-33-16-12-8-3)88-34-17-13-9-4)112-77-61-97(62-78-112)93-47-45-92(46-48-93)96-59-73-110(74-60-96)127(107-35-21-18-22-36-107)108-37-23-19-24-38-108;1-40(35-16-6-27(7-17-35)29-12-22-38(41)23-13-29,36-18-8-28(9-19-36)30-14-24-39(42)25-15-30)37-20-10-32(11-21-37)34-5-3-31-2-4-33(31)26-34;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;19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;;/h18-30,35-48,50,52-84,89-91H,6-17,31-34,49,51,85-88H2,1-5H3;3,5-26H,2,4H2,1H3;9-10,13-16,19H,3-8,11-12,17-18,26H2,1-2H3;1-12H;1-10,13H;1-5H;2*1H4
• InChIKey: KGQLVBUFTLNQMQ-UHFFFAOYSA-N
• XLogP: 69.14
• TPSA: 47.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 57
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3445.87
LogP ≤ 5	69.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[4-[4-[1-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;1,4-bis(4-bromophenyl)benzene;3-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene;bromobenzene;9,9-dihexylfluoren-2-amine;methane;N-phenylaniline (CID 159129051) is N-[4-[4-[1-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;1,4-bis(4-bromophenyl)benzene;3-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene;bromobenzene;9,9-dihexylfluoren-2-amine;methane;N-phenylaniline.

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

The canonical SMILES for N-[4-[4-[1-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;1,4-bis(4-bromophenyl)benzene;3-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene;bromobenzene;9,9-dihexylfluoren-2-amine;methane;N-phenylaniline is Brc1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1.Brc1ccccc1.C.C.CC(c1ccc(-c2ccc(Br)cc2)cc1)(c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(-c2ccc3c(c2)CC3)cc1.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C(C)(c5ccc(-c6ccc(N(c7ccc(-c8ccc(-c9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9)cc8)cc7)c7ccc8c(c7)C(CCCCCC)(CCCCCC)c7ccccc7-8)cc6)cc5)c5ccc(-c6ccc7c(c6)CC7)cc5)cc4)cc3)cc21.CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N)cc21.c1ccc(Nc2ccccc2)cc1.

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

The InChIKey is KGQLVBUFTLNQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H123N3.C40H30Br2.C25H35N.C18H12Br2.C12H11N.C6H5Br.2CH4/c1-6-10-14-31-85-125(86-32-15-11-7-2)120-43-29-27-41-116(120)118-83-81-114(90-122(118)125)128(109-39-25-20-26-40-109)111-75-63-98(64-76-111)94-53-67-104(68-54-94)124(5,106-71-57-101(58-72-106)103-52-50-100-49-51-102(100)89-103)105-69-55-95(56-70-105)99-65-79-113(80-66-99)129(115-82-84-119-117-42-28-30-44-121(117)126(123(119)91-115,87-33-16-12-8-3)88-34-17-13-9-4)112-77-61-97(62-78-112)93-47-45-92(46-48-93)96-59-73-110(74-60-96)127(107-35-21-18-22-36-107)108-37-23-19-24-38-108;1-40(35-16-6-27(7-17-35)29-12-22-38(41)23-13-29,36-18-8-28(9-19-36)30-14-24-39(42)25-15-30)37-20-10-32(11-21-37)34-5-3-31-2-4-33(31)26-34;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;19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;7-6-4-2-1-3-5-6;;/h18-30,35-48,50,52-84,89-91H,6-17,31-34,49,51,85-88H2,1-5H3;3,5-26H,2,4H2,1H3;9-10,13-16,19H,3-8,11-12,17-18,26H2,1-2H3;1-12H;1-10,13H;1-5H;2*1H4.

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

N-[4-[4-[1-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;1,4-bis(4-bromophenyl)benzene;3-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene;bromobenzene;9,9-dihexylfluoren-2-amine;methane;N-phenylaniline has a molecular weight of 3445.87 g/mol, XLogP of 69.14, 57 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[1-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-1-[4-[4-[N-(9,9-dihexylfluoren-2-yl)-4-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]ethyl]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine;1,4-bis(4-bromophenyl)benzene;3-[4-[1,1-bis[4-(4-bromophenyl)phenyl]ethyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene;bromobenzene;9,9-dihexylfluoren-2-amine;methane;N-phenylaniline is sourced from PubChem (CID 159129051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).