5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin

C132H168I4N8 — CID 123910023

About 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin

5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin (PubChem CID 123910023) has the molecular formula C132H168I4N8 and a molecular weight of 2374.47 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin.

Molecular Properties

• Compound Name: 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin
• PubChem CID: 123910023
• Molecular Formula: C132H168I4N8
• Molecular Weight: 2374.47 g/mol
• Exact Mass: 2372.96
• IUPAC Name: 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin
• SMILES: CCCCCCCCCCCCCCCCn1c2ccc(I)cc2c2cc(C3=c4ccc([nH]4)=C(c4ccc5c(c4)c4cc(I)ccc4n5CCCCCCCCCCCCCCCC)c4ccc([nH]4)C(c4ccc5c(c4)c4cc(I)ccc4n5CCCCCCCCCCCCCCCC)=c4ccc([nH]4)=C(c4ccc5c(c4)c4cc(I)ccc4n5CCCCCCCCCCCCCCCC)c4ccc3[nH]4)ccc21
• InChI: InChI=1S/C132H168I4N8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-85-141-121-77-61-97(89-105(121)109-93-101(133)65-81-125(109)141)129-113-69-71-115(137-113)130(98-62-78-122-106(90-98)110-94-102(134)66-82-126(110)142(122)86-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)117-73-75-119(139-117)132(100-64-80-124-108(92-100)112-96-104(136)68-84-128(112)144(124)88-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)120-76-74-118(140-120)131(116-72-70-114(129)138-116)99-63-79-123-107(91-99)111-95-103(135)67-83-127(111)143(123)87-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h61-84,89-96,137-140H,5-60,85-88H2,1-4H3
• InChIKey: FVHHFUTULXQCHY-UHFFFAOYSA-N
• XLogP: 39.08
• TPSA: 82.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 64
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2374.47
LogP ≤ 5	39.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin?

The IUPAC name of 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin (CID 123910023) is 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin.

What is the SMILES notation for 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin?

The canonical SMILES for 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin is CCCCCCCCCCCCCCCCn1c2ccc(I)cc2c2cc(C3=c4ccc([nH]4)=C(c4ccc5c(c4)c4cc(I)ccc4n5CCCCCCCCCCCCCCCC)c4ccc([nH]4)C(c4ccc5c(c4)c4cc(I)ccc4n5CCCCCCCCCCCCCCCC)=c4ccc([nH]4)=C(c4ccc5c(c4)c4cc(I)ccc4n5CCCCCCCCCCCCCCCC)c4ccc3[nH]4)ccc21.

What is the InChIKey of 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin?

The InChIKey is FVHHFUTULXQCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C132H168I4N8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-85-141-121-77-61-97(89-105(121)109-93-101(133)65-81-125(109)141)129-113-69-71-115(137-113)130(98-62-78-122-106(90-98)110-94-102(134)66-82-126(110)142(122)86-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)117-73-75-119(139-117)132(100-64-80-124-108(92-100)112-96-104(136)68-84-128(112)144(124)88-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)120-76-74-118(140-120)131(116-72-70-114(129)138-116)99-63-79-123-107(91-99)111-95-103(135)67-83-127(111)143(123)87-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h61-84,89-96,137-140H,5-60,85-88H2,1-4H3.

What are the key properties of 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin?

5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin has a molecular weight of 2374.47 g/mol, XLogP of 39.08, 64 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5,10,15,20-tetrakis(9-hexadecyl-6-iodocarbazol-3-yl)-21,22,23,24-tetrahydroporphyrin is sourced from PubChem (CID 123910023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).