N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one

C259H218N8O4S4 — CID 161454163

About N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one

N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one (PubChem CID 161454163) has the molecular formula C259H218N8O4S4 and a molecular weight of 3634.91 g/mol. Its IUPAC name is N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one.

Molecular Properties

• Compound Name: N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one
• PubChem CID: 161454163
• Molecular Formula: C259H218N8O4S4
• Molecular Weight: 3634.91 g/mol
• Exact Mass: 3631.60
• IUPAC Name: N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one
• SMILES: CCCCCCCC(=O)C1(C(=O)CCCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(C(=O)CCCCCCC)(C(=O)CCCCCCC)c7cc(-c9ccc(N(c%10ccccc%10)c%10ccc(-c%11ccc%12c(c%11)C(Cc%11ccccc%11)(Cc%11ccccc%11)c%11cc(C)ccc%11-%12)cc%10)cc9)ccc7-8)cc6)cc5)cc4)cc3)cc21.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2)c2cccc3c2sc2ccccc23)cc1
• InChI: InChI=1S/C159H150N4O4.C52H36N2S2.C48H32N2S2/c1-7-11-15-19-41-57-153(164)158(154(165)58-42-20-16-12-8-2)149-107-125(120-70-91-136(92-71-120)160(129-49-33-25-34-50-129)133-83-61-113(5)62-84-133)79-101-143(149)144-102-80-126(108-150(144)158)121-72-93-138(94-73-121)161(130-51-35-26-36-52-130)134-85-64-117(65-86-134)118-66-87-135(88-67-118)162(131-53-37-27-38-54-131)139-95-74-122(75-96-139)127-81-103-145-146-104-82-128(110-152(146)159(151(145)109-127,155(166)59-43-21-17-13-9-3)156(167)60-44-22-18-14-10-4)123-76-97-140(98-77-123)163(132-55-39-28-40-56-132)137-89-68-119(69-90-137)124-78-100-142-141-99-63-114(6)105-147(141)157(148(142)106-124,111-115-45-29-23-30-46-115)112-116-47-31-24-32-48-116;1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-35-41-11-7-9-17-49(41)55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-36-42-12-8-10-18-50(42)56-52;1-3-13-35(14-4-1)49(43-21-11-19-41-39-17-7-9-23-45(39)51-47(41)43)37-29-25-33(26-30-37)34-27-31-38(32-28-34)50(36-15-5-2-6-16-36)44-22-12-20-42-40-18-8-10-24-46(40)52-48(42)44/h23-40,45-56,61-110H,7-22,41-44,57-60,111-112H2,1-6H3;1-36H;1-32H
• InChIKey: WAXVNILSXBBHRH-UHFFFAOYSA-N
• XLogP: 74.27
• TPSA: 94.20 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 66
• Heavy Atoms: 275
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3634.91
LogP ≤ 5	74.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one?

The IUPAC name of N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one (CID 161454163) is N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one.

What is the SMILES notation for N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one?

The canonical SMILES for N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one is CCCCCCCC(=O)C1(C(=O)CCCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccc8c(c7)C(C(=O)CCCCCCC)(C(=O)CCCCCCC)c7cc(-c9ccc(N(c%10ccccc%10)c%10ccc(-c%11ccc%12c(c%11)C(Cc%11ccccc%11)(Cc%11ccccc%11)c%11cc(C)ccc%11-%12)cc%10)cc9)ccc7-8)cc6)cc5)cc4)cc3)cc21.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6ccccc6s5)cc4)cc3)cc2)c2ccc(-c3cc4ccccc4s3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5c4sc4ccccc45)cc3)cc2)c2cccc3c2sc2ccccc23)cc1.

What is the InChIKey of N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one?

The InChIKey is WAXVNILSXBBHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C159H150N4O4.C52H36N2S2.C48H32N2S2/c1-7-11-15-19-41-57-153(164)158(154(165)58-42-20-16-12-8-2)149-107-125(120-70-91-136(92-71-120)160(129-49-33-25-34-50-129)133-83-61-113(5)62-84-133)79-101-143(149)144-102-80-126(108-150(144)158)121-72-93-138(94-73-121)161(130-51-35-26-36-52-130)134-85-64-117(65-86-134)118-66-87-135(88-67-118)162(131-53-37-27-38-54-131)139-95-74-122(75-96-139)127-81-103-145-146-104-82-128(110-152(146)159(151(145)109-127,155(166)59-43-21-17-13-9-3)156(167)60-44-22-18-14-10-4)123-76-97-140(98-77-123)163(132-55-39-28-40-56-132)137-89-68-119(69-90-137)124-78-100-142-141-99-63-114(6)105-147(141)157(148(142)106-124,111-115-45-29-23-30-46-115)112-116-47-31-24-32-48-116;1-3-13-43(14-4-1)53(47-31-23-39(24-32-47)51-35-41-11-7-9-17-49(41)55-51)45-27-19-37(20-28-45)38-21-29-46(30-22-38)54(44-15-5-2-6-16-44)48-33-25-40(26-34-48)52-36-42-12-8-10-18-50(42)56-52;1-3-13-35(14-4-1)49(43-21-11-19-41-39-17-7-9-23-45(39)51-47(41)43)37-29-25-33(26-30-37)34-27-31-38(32-28-34)50(36-15-5-2-6-16-36)44-22-12-20-42-40-18-8-10-24-46(40)52-48(42)44/h23-40,45-56,61-110H,7-22,41-44,57-60,111-112H2,1-6H3;1-36H;1-32H.

What are the key properties of N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one?

N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one has a molecular weight of 3634.91 g/mol, XLogP of 74.27, 66 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-4-amine;1-[2-[4-(N-[4-[4-(N-[4-[7-[4-(N-[4-(9,9-dibenzyl-7-methylfluoren-2-yl)phenyl]anilino)phenyl]-9,9-di(octanoyl)fluoren-2-yl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one is sourced from PubChem (CID 161454163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).