2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol

C144H198N4O8P2 — CID 164756149

About 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol

2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol (PubChem CID 164756149) has the molecular formula C144H198N4O8P2 and a molecular weight of 2175.14 g/mol. Its IUPAC name is 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol.

Molecular Properties

• Compound Name: 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol
• PubChem CID: 164756149
• Molecular Formula: C144H198N4O8P2
• Molecular Weight: 2175.14 g/mol
• Exact Mass: 2173.47
• IUPAC Name: 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol
• SMILES: CCOP(=O)(Nc1cc(N(c2ccc(-c3c4c(cc5c3C(C)(C)CC5(CC)CC)C(CC)(CC)CC4(C)C)cc2)c2ccc(-c3c4c(cc5c3C(C)(C)CC5(CC)CC)C(CC)(CC)CC4(C)C)cc2)ccc1C1C(O)C(c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3)c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3)cc2NP(=O)(OCC)OCC)C1O)OCC
• InChI: InChI=1S/C144H198N4O8P2/c1-37-137(38-2)83-129(21,22)119-103(137)79-104-120(130(23,24)84-138(104,39-3)40-4)113(119)91-57-65-95(66-58-91)147(96-67-59-92(60-68-96)114-121-105(139(41-5,42-6)85-131(121,25)26)80-106-122(114)132(27,28)86-140(106,43-7)44-8)99-73-75-101(111(77-99)145-157(151,153-53-17)154-54-18)117-127(149)118(128(117)150)102-76-74-100(78-112(102)146-158(152,155-55-19)156-56-20)148(97-69-61-93(62-70-97)115-123-107(141(45-9,46-10)87-133(123,29)30)81-108-124(115)134(31,32)88-142(108,47-11)48-12)98-71-63-94(64-72-98)116-125-109(143(49-13,50-14)89-135(125,33)34)82-110-126(116)136(35,36)90-144(110,51-15)52-16/h57-82,117-118,127-128,149-150H,37-56,83-90H2,1-36H3,(H,145,151)(H,146,152)
• InChIKey: KMWKEWLCGSCZDM-UHFFFAOYSA-N
• XLogP: 41.00
• TPSA: 142.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 40
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2175.14
LogP ≤ 5	41.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol?

The IUPAC name of 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol (CID 164756149) is 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol.

What is the SMILES notation for 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol?

The canonical SMILES for 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol is CCOP(=O)(Nc1cc(N(c2ccc(-c3c4c(cc5c3C(C)(C)CC5(CC)CC)C(CC)(CC)CC4(C)C)cc2)c2ccc(-c3c4c(cc5c3C(C)(C)CC5(CC)CC)C(CC)(CC)CC4(C)C)cc2)ccc1C1C(O)C(c2ccc(N(c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3)c3ccc(-c4c5c(cc6c4C(C)(C)CC6(CC)CC)C(CC)(CC)CC5(C)C)cc3)cc2NP(=O)(OCC)OCC)C1O)OCC.

What is the InChIKey of 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol?

The InChIKey is KMWKEWLCGSCZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H198N4O8P2/c1-37-137(38-2)83-129(21,22)119-103(137)79-104-120(130(23,24)84-138(104,39-3)40-4)113(119)91-57-65-95(66-58-91)147(96-67-59-92(60-68-96)114-121-105(139(41-5,42-6)85-131(121,25)26)80-106-122(114)132(27,28)86-140(106,43-7)44-8)99-73-75-101(111(77-99)145-157(151,153-53-17)154-54-18)117-127(149)118(128(117)150)102-76-74-100(78-112(102)146-158(152,155-55-19)156-56-20)148(97-69-61-93(62-70-97)115-123-107(141(45-9,46-10)87-133(123,29)30)81-108-124(115)134(31,32)88-142(108,47-11)48-12)98-71-63-94(64-72-98)116-125-109(143(49-13,50-14)89-135(125,33)34)82-110-126(116)136(35,36)90-144(110,51-15)52-16/h57-82,117-118,127-128,149-150H,37-56,83-90H2,1-36H3,(H,145,151)(H,146,152).

What are the key properties of 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol?

2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol has a molecular weight of 2175.14 g/mol, XLogP of 41.00, 40 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis[2-(diethoxyphosphorylamino)-4-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diol is sourced from PubChem (CID 164756149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).