2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline

C225H214N10O11 — CID 157109512

About 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline

2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline (PubChem CID 157109512) has the molecular formula C225H214N10O11 and a molecular weight of 3234.25 g/mol. Its IUPAC name is 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline.

Molecular Properties

• Compound Name: 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline
• PubChem CID: 157109512
• Molecular Formula: C225H214N10O11
• Molecular Weight: 3234.25 g/mol
• Exact Mass: 3231.65
• IUPAC Name: 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline
• SMILES: CC1(COCCCCOc2cccc(N(c3ccc(Oc4ccc(N(c5ccccc5)c5ccc(Oc6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)c3ccc(Oc4ccc(N(c5ccccc5)c5cccc(Oc6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)cc4)cc3)c2)COC1.CCCCCCC1(CCCCCC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(CCCCCCOCC5(C)COC5)(CCCCCCOCC5(C)COC5)c5cc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)ccc5-6)cc4)cc3)cc21
• InChI: InChI=1S/C126H131N5O4.C99H83N5O7/c1-5-7-9-36-80-125(81-37-10-8-6-2)119-86-111(128(102-46-26-17-27-47-102)103-48-28-18-29-49-103)72-76-115(119)116-77-73-112(87-120(116)125)129(104-50-30-19-31-51-104)109-68-60-98(61-69-109)99-62-70-110(71-63-99)131(106-54-34-21-35-55-106)114-75-79-118-117-78-74-113(88-121(117)126(122(118)89-114,82-38-11-13-40-84-132-90-123(3)92-134-93-123)83-39-12-14-41-85-133-91-124(4)94-135-95-124)130(105-52-32-20-33-53-105)108-66-58-97(59-67-108)96-56-64-107(65-57-96)127(100-42-22-15-23-43-100)101-44-24-16-25-45-101;1-99(73-106-74-99)72-105-68-20-21-69-107-97-38-22-36-88(70-97)104(86-50-62-94(63-51-86)109-92-58-44-84(45-59-92)102(79-32-16-6-17-33-79)83-42-56-91(57-43-83)108-90-54-40-81(41-55-90)100(75-24-8-2-9-25-75)76-26-10-3-11-27-76)87-52-64-95(65-53-87)110-93-60-48-85(49-61-93)103(80-34-18-7-19-35-80)89-37-23-39-98(71-89)111-96-66-46-82(47-67-96)101(77-28-12-4-13-29-77)78-30-14-5-15-31-78/h15-35,42-79,86-89H,5-14,36-41,80-85,90-95H2,1-4H3;2-19,22-67,70-71H,20-21,68-69,72-74H2,1H3
• InChIKey: AGRJIXVAPAVJPX-UHFFFAOYSA-N
• XLogP: 62.27
• TPSA: 133.93 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 76
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3234.25
LogP ≤ 5	62.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline?

The IUPAC name of 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline (CID 157109512) is 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline.

What is the SMILES notation for 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline?

The canonical SMILES for 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline is CC1(COCCCCOc2cccc(N(c3ccc(Oc4ccc(N(c5ccccc5)c5ccc(Oc6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc4)cc3)c3ccc(Oc4ccc(N(c5ccccc5)c5cccc(Oc6ccc(N(c7ccccc7)c7ccccc7)cc6)c5)cc4)cc3)c2)COC1.CCCCCCC1(CCCCCC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(CCCCCCOCC5(C)COC5)(CCCCCCOCC5(C)COC5)c5cc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9ccccc9)cc8)cc7)ccc5-6)cc4)cc3)cc21.

What is the InChIKey of 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline?

The InChIKey is AGRJIXVAPAVJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H131N5O4.C99H83N5O7/c1-5-7-9-36-80-125(81-37-10-8-6-2)119-86-111(128(102-46-26-17-27-47-102)103-48-28-18-29-49-103)72-76-115(119)116-77-73-112(87-120(116)125)129(104-50-30-19-31-51-104)109-68-60-98(61-69-109)99-62-70-110(71-63-99)131(106-54-34-21-35-55-106)114-75-79-118-117-78-74-113(88-121(117)126(122(118)89-114,82-38-11-13-40-84-132-90-123(3)92-134-93-123)83-39-12-14-41-85-133-91-124(4)94-135-95-124)130(105-52-32-20-33-53-105)108-66-58-97(59-67-108)96-56-64-107(65-57-96)127(100-42-22-15-23-43-100)101-44-24-16-25-45-101;1-99(73-106-74-99)72-105-68-20-21-69-107-97-38-22-36-88(70-97)104(86-50-62-94(63-51-86)109-92-58-44-84(45-59-92)102(79-32-16-6-17-33-79)83-42-56-91(57-43-83)108-90-54-40-81(41-55-90)100(75-24-8-2-9-25-75)76-26-10-3-11-27-76)87-52-64-95(65-53-87)110-93-60-48-85(49-61-93)103(80-34-18-7-19-35-80)89-37-23-39-98(71-89)111-96-66-46-82(47-67-96)101(77-28-12-4-13-29-77)78-30-14-5-15-31-78/h15-35,42-79,86-89H,5-14,36-41,80-85,90-95H2,1-4H3;2-19,22-67,70-71H,20-21,68-69,72-74H2,1H3.

What are the key properties of 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline?

2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline has a molecular weight of 3234.25 g/mol, XLogP of 62.27, 76 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-[4-(N-[9,9-bis[6-[(3-methyloxetan-3-yl)methoxy]hexyl]-7-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)fluoren-2-yl]anilino)phenyl]phenyl]-9,9-dihexyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;3-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]-N-[4-[4-(N-[3-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenoxy]phenyl]anilino)phenoxy]phenyl]aniline is sourced from PubChem (CID 157109512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).