(10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine

C170H320N6 — CID 134474648

About (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine

(10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine (PubChem CID 134474648) has the molecular formula C170H320N6 and a molecular weight of 2448.47 g/mol. Its IUPAC name is (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine.

Molecular Properties

• Compound Name: (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine
• PubChem CID: 134474648
• Molecular Formula: C170H320N6
• Molecular Weight: 2448.47 g/mol
• Exact Mass: 2446.52
• IUPAC Name: (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine
• SMILES: CCCCC/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/C=C\C(/C=C\CCCCC)/C(=C/CCCCC)C/C=C\CCCCCCCCCN(CCCN(C)C)C(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCC(CC/C=C\C/C=C\CCCCC)CCCCCCC(CCCCCCCC)CN(CCCN(C)C)C(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)N(CCCCCCCCC)CCCN(C)C
• InChI: InChI=1S/C170H320N6/c1-16-25-34-43-50-55-60-64-68-72-76-80-88-98-110-129-149-168(174(160-137-155-171(10)11)158-135-117-103-48-39-30-21-6)150-130-112-102-93-92-97-109-128-148-167(146-126-105-41-32-23-8)166(145-125-42-33-24-9)147-127-108-96-87-84-85-94-104-118-136-159-175(161-138-156-172(12)13)169(151-131-111-99-89-81-77-73-69-65-61-56-51-44-35-26-17-2)152-134-119-124-142-164(140-120-107-95-86-59-54-47-38-29-20-5)141-121-115-116-123-144-165(143-122-106-49-40-31-22-7)163-176(162-139-157-173(14)15)170(153-132-113-100-90-82-78-74-70-66-62-57-52-45-36-27-18-3)154-133-114-101-91-83-79-75-71-67-63-58-53-46-37-28-19-4/h50-59,64-71,95,107-108,126-128,145-146,148,164-165,167-170H,16-49,60-63,72-94,96-106,109-125,129-144,147,149-163H2,1-15H3/b55-50-,56-51-,57-52-,58-53-,59-54-,68-64-,69-65-,70-66-,71-67-,107-95-,127-108-,146-126-,148-128-,166-145+
• InChIKey: AMLBGLRXTMQLNQ-FDUVDZDWSA-N
• XLogP: 55.56
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 146
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2448.47
LogP ≤ 5	55.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine?

The IUPAC name of (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine (CID 134474648) is (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine.

What is the SMILES notation for (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine?

The canonical SMILES for (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine is CCCCC/C=C\C/C=C\CCCCCCCCC(CCCCCCCC/C=C\C(/C=C\CCCCC)/C(=C/CCCCC)C/C=C\CCCCCCCCCN(CCCN(C)C)C(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCC(CC/C=C\C/C=C\CCCCC)CCCCCCC(CCCCCCCC)CN(CCCN(C)C)C(CCCCCCCC/C=C\C/C=C\CCCCC)CCCCCCCC/C=C\C/C=C\CCCCC)N(CCCCCCCCC)CCCN(C)C.

What is the InChIKey of (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine?

The InChIKey is AMLBGLRXTMQLNQ-FDUVDZDWSA-N. The full InChI is InChI=1S/C170H320N6/c1-16-25-34-43-50-55-60-64-68-72-76-80-88-98-110-129-149-168(174(160-137-155-171(10)11)158-135-117-103-48-39-30-21-6)150-130-112-102-93-92-97-109-128-148-167(146-126-105-41-32-23-8)166(145-125-42-33-24-9)147-127-108-96-87-84-85-94-104-118-136-159-175(161-138-156-172(12)13)169(151-131-111-99-89-81-77-73-69-65-61-56-51-44-35-26-17-2)152-134-119-124-142-164(140-120-107-95-86-59-54-47-38-29-20-5)141-121-115-116-123-144-165(143-122-106-49-40-31-22-7)163-176(162-139-157-173(14)15)170(153-132-113-100-90-82-78-74-70-66-62-57-52-45-36-27-18-3)154-133-114-101-91-83-79-75-71-67-63-58-53-46-37-28-19-4/h50-59,64-71,95,107-108,126-128,145-146,148,164-165,167-170H,16-49,60-63,72-94,96-106,109-125,129-144,147,149-163H2,1-15H3/b55-50-,56-51-,57-52-,58-53-,59-54-,68-64-,69-65-,70-66-,71-67-,107-95-,127-108-,146-126-,148-128-,166-145+.

What are the key properties of (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine?

(10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine has a molecular weight of 2448.47 g/mol, XLogP of 55.56, 146 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (10Z,13E,15Z,34Z,37Z)-1-N,25-N-bis[3-(dimethylamino)propyl]-1-N-[(6Z,9Z)-32-[[3-(dimethylamino)propyl-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]amino]methyl]-25-[(3Z,6Z)-dodeca-3,6-dienyl]tetraconta-6,9-dien-19-yl]-14-[(Z)-hept-1-enyl]-13-hexylidene-25-N-nonyltritetraconta-10,15,34,37-tetraene-1,25-diamine is sourced from PubChem (CID 134474648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).