[2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium

C155H89P2+ — CID 163731875

About [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium

[2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium (PubChem CID 163731875) has the molecular formula C155H89P2+ and a molecular weight of 2013.36 g/mol. Its IUPAC name is [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium.

Molecular Properties

• Compound Name: [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium
• PubChem CID: 163731875
• Molecular Formula: C155H89P2+
• Molecular Weight: 2013.36 g/mol
• Exact Mass: 2011.64
• IUPAC Name: [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium
• SMILES: C=Pc1cc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc5c(cc34)-c3ccc4c6ccc7c8c(ccc(c9ccc-5c3c49)c86)-c3c-7c(-c4ccccc4)c4ccccc4c3-c3ccccc3-c3ccccc3)c([P+](=C)C)c2)ccc1-c1c2ccccc2c(-c2ccccc2)c2cc3c(cc12)-c1ccc2c4ccc5c6c(ccc(c7ccc-3c1c72)c64)-c1cc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3-c3ccccc3)c2cc1-5
• InChI: InChI=1S/C155H89P2/c1-156-136-78-92(58-60-120(136)143-103-55-31-27-51-99(103)139(89-40-16-7-17-41-89)131-81-125-115-69-63-107-106-62-68-114-124-80-130-133(83-127(124)117-71-64-108(145(106)149(114)117)109-65-72-118(150(115)146(107)109)128(125)84-134(131)143)142(96-48-24-22-46-94(96)86-34-10-4-11-35-86)102-54-30-26-50-98(102)138(130)88-38-14-6-15-39-88)93-59-61-121(137(79-93)157(2)3)144-104-56-32-28-52-100(104)140(90-42-18-8-19-43-90)132-82-126-116-70-66-111-113-75-77-123-153-122(76-74-112(148(113)153)110-67-73-119(151(116)147(110)111)129(126)85-135(132)144)154-141(91-44-20-9-21-45-91)101-53-29-33-57-105(101)152(155(123)154)97-49-25-23-47-95(97)87-36-12-5-13-37-87/h4-85H,1-2H2,3H3/q+1
• InChIKey: XUKCTWBAMVLNGC-UHFFFAOYSA-N
• XLogP: 42.96
• TPSA: 0.00 Ų
• Rotatable Bonds: 13
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2013.36
LogP ≤ 5	42.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium?

The IUPAC name of [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium (CID 163731875) is [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium.

What is the SMILES notation for [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium?

The canonical SMILES for [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium is C=Pc1cc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc5c(cc34)-c3ccc4c6ccc7c8c(ccc(c9ccc-5c3c49)c86)-c3c-7c(-c4ccccc4)c4ccccc4c3-c3ccccc3-c3ccccc3)c([P+](=C)C)c2)ccc1-c1c2ccccc2c(-c2ccccc2)c2cc3c(cc12)-c1ccc2c4ccc5c6c(ccc(c7ccc-3c1c72)c64)-c1cc2c(-c3ccccc3)c3ccccc3c(-c3ccccc3-c3ccccc3)c2cc1-5.

What is the InChIKey of [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium?

The InChIKey is XUKCTWBAMVLNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C155H89P2/c1-156-136-78-92(58-60-120(136)143-103-55-31-27-51-99(103)139(89-40-16-7-17-41-89)131-81-125-115-69-63-107-106-62-68-114-124-80-130-133(83-127(124)117-71-64-108(145(106)149(114)117)109-65-72-118(150(115)146(107)109)128(125)84-134(131)143)142(96-48-24-22-46-94(96)86-34-10-4-11-35-86)102-54-30-26-50-98(102)138(130)88-38-14-6-15-39-88)93-59-61-121(137(79-93)157(2)3)144-104-56-32-28-52-100(104)140(90-42-18-8-19-43-90)132-82-126-116-70-66-111-113-75-77-123-153-122(76-74-112(148(113)153)110-67-73-119(151(116)147(110)111)129(126)85-135(132)144)154-141(91-44-20-9-21-45-91)101-53-29-33-57-105(101)152(155(123)154)97-49-25-23-47-95(97)87-36-12-5-13-37-87/h4-85H,1-2H2,3H3/q+1.

What are the key properties of [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium?

[2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium has a molecular weight of 2013.36 g/mol, XLogP of 42.96, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[14,34-diphenyl-7-(2-phenylphenyl)-27-dodecacyclo[21.17.2.22,5.03,19.04,16.06,15.08,13.020,41.024,37.026,35.028,33.038,42]tetratetraconta-1(41),2(44),3(19),4(16),5(43),6,8,10,12,14,17,20,22,24,26,28,30,32,34,36,38(42),39-docosaenyl]-5-[4-[16,31-diphenyl-38-(2-phenylphenyl)-9-tridecacyclo[25.17.2.22,5.03,23.04,20.06,19.08,17.010,15.024,45.028,41.030,39.032,37.042,46]octatetraconta-1(44),2(48),3(23),4(20),5(47),6,8,10,12,14,16,18,21,24(45),25,27(46),28,30,32,34,36,38,40,42-tetracosaenyl]-3-methylidenephosphanylphenyl]phenyl]-methyl-methylidenephosphanium is sourced from PubChem (CID 163731875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).