N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine

C96H97N40OP5 — CID 153324866

IUPACN-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
SMILESOP(N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1)(N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1)(N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1)N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C96H97N40OP5/c137-142(121-138(125(73-25-1-49-97-73)74-26-2-50-98-74,126(75-27-3-51-99-75)76-28-4-52-100-76)127(77-29-5-53-101-77)78-30-6-54-102-78,122-139(128(79-31-7-55-103-79)80-32-8-56-104-80,129(81-33-9-57-105-81)82-34-10-58-106-82)130(83-35-11-59-107-83)84-36-12-60-108-84,123-140(131(85-37-13-61-109-85)86-38-14-62-110-86,132(87-39-15-63-111-87)88-40-16-64-112-88)133(89-41-17-65-113-89)90-42-18-66-114-90)124-141(134(91-43-19-67-115-91)92-44-20-68-116-92,135(93-45-21-69-117-93)94-46-22-70-118-94)136(95-47-23-71-119-95)96-48-24-72-120-96/h1-72,97-120,137H
InChIKeyFXZPJUHPVXSJJT-UHFFFAOYSA-N
MW1981.98 g/mol
LogP27.83
Rot. Bonds40

About N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine

N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine (PubChem CID 153324866) has the molecular formula C96H97N40OP5 and a molecular weight of 1981.98 g/mol. Its IUPAC name is N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
PubChem CID153324866
Molecular FormulaC96H97N40OP5
Molecular Weight1981.98 g/mol
Exact Mass1980.75
IUPAC NameN-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
SMILESOP(N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1)(N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1)(N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1)N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C96H97N40OP5/c137-142(121-138(125(73-25-1-49-97-73)74-26-2-50-98-74,126(75-27-3-51-99-75)76-28-4-52-100-76)127(77-29-5-53-101-77)78-30-6-54-102-78,122-139(128(79-31-7-55-103-79)80-32-8-56-104-80,129(81-33-9-57-105-81)82-34-10-58-106-82)130(83-35-11-59-107-83)84-36-12-60-108-84,123-140(131(85-37-13-61-109-85)86-38-14-62-110-86,132(87-39-15-63-111-87)88-40-16-64-112-88)133(89-41-17-65-113-89)90-42-18-66-114-90)124-141(134(91-43-19-67-115-91)92-44-20-68-116-92,135(93-45-21-69-117-93)94-46-22-70-118-94)136(95-47-23-71-119-95)96-48-24-72-120-96/h1-72,97-120,137H
InChIKeyFXZPJUHPVXSJJT-UHFFFAOYSA-N
XLogP27.83
TPSA487.51 Ų
H-Bond Donors25
H-Bond Acceptors5
Rotatable Bonds40
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001981.98
LogP ≤ 527.83
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The IUPAC name of N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine (CID 153324866) is N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine.
What is the SMILES notation for N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The canonical SMILES for N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine is OP(N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1)(N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1)(N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1)N=P(N(c1ccc[nH]1)c1ccc[nH]1)(N(c1ccc[nH]1)c1ccc[nH]1)N(c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
The InChIKey is FXZPJUHPVXSJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H97N40OP5/c137-142(121-138(125(73-25-1-49-97-73)74-26-2-50-98-74,126(75-27-3-51-99-75)76-28-4-52-100-76)127(77-29-5-53-101-77)78-30-6-54-102-78,122-139(128(79-31-7-55-103-79)80-32-8-56-104-80,129(81-33-9-57-105-81)82-34-10-58-106-82)130(83-35-11-59-107-83)84-36-12-60-108-84,123-140(131(85-37-13-61-109-85)86-38-14-62-110-86,132(87-39-15-63-111-87)88-40-16-64-112-88)133(89-41-17-65-113-89)90-42-18-66-114-90)124-141(134(91-43-19-67-115-91)92-44-20-68-116-92,135(93-45-21-69-117-93)94-46-22-70-118-94)136(95-47-23-71-119-95)96-48-24-72-120-96/h1-72,97-120,137H.
What are the key properties of N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine?
N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine has a molecular weight of 1981.98 g/mol, XLogP of 27.83, 40 rotatable bonds, 25 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[bis(1H-pyrrol-2-yl)amino]-[hydroxy-tris[[tris[bis(1H-pyrrol-2-yl)amino]-λ5-phosphanylidene]amino]-λ5-phosphanyl]imino-λ5-phosphanyl]-N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine is sourced from PubChem (CID 153324866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).