13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

C148H209NO6P2 — CID 175898679

IUPAC13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
SMILESCCCCCCCc1cc(CCCCCCC)c(-c2cc3ccccc3c3c2OP(=O)(NP2(=O)Oc4c(-c5c(CCCCCCC)cc(CCCCCCC)cc5CCCCCCC)cc5ccccc5c4-c4c(c(-c5c(CCCCCCC)cc(CCCCCCC)cc5CCCCCCC)cc5ccccc45)O2)Oc2c(-c4c(CCCCCCC)cc(CCCCCCC)cc4CCCCCCC)cc4ccccc4c2-3)c(CCCCCCC)c1
InChIInChI=1S/C148H209NO6P2/c1-13-25-37-49-61-81-113-101-121(89-65-53-41-29-17-5)137(122(102-113)90-66-54-42-30-18-6)133-109-117-85-73-77-97-129(117)141-142-130-98-78-74-86-118(130)110-134(138-123(91-67-55-43-31-19-7)103-114(82-62-50-38-26-14-2)104-124(138)92-68-56-44-32-20-8)146(142)153-156(150,152-145(133)141)149-157(151)154-147-135(139-125(93-69-57-45-33-21-9)105-115(83-63-51-39-27-15-3)106-126(139)94-70-58-46-34-22-10)111-119-87-75-79-99-131(119)143(147)144-132-100-80-76-88-120(132)112-136(148(144)155-157)140-127(95-71-59-47-35-23-11)107-116(84-64-52-40-28-16-4)108-128(140)96-72-60-48-36-24-12/h73-80,85-88,97-112H,13-72,81-84,89-96H2,1-12H3,(H,149,150,151)
InChIKeyDBLOAIJPABYDLL-UHFFFAOYSA-N
MW2160.25 g/mol
LogP48.50
Rot. Bonds78

About 13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine (PubChem CID 175898679) has the molecular formula C148H209NO6P2 and a molecular weight of 2160.25 g/mol. Its IUPAC name is 13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.

Molecular Properties

Compound Name13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
PubChem CID175898679
Molecular FormulaC148H209NO6P2
Molecular Weight2160.25 g/mol
Exact Mass2158.56
IUPAC Name13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
SMILESCCCCCCCc1cc(CCCCCCC)c(-c2cc3ccccc3c3c2OP(=O)(NP2(=O)Oc4c(-c5c(CCCCCCC)cc(CCCCCCC)cc5CCCCCCC)cc5ccccc5c4-c4c(c(-c5c(CCCCCCC)cc(CCCCCCC)cc5CCCCCCC)cc5ccccc45)O2)Oc2c(-c4c(CCCCCCC)cc(CCCCCCC)cc4CCCCCCC)cc4ccccc4c2-3)c(CCCCCCC)c1
InChIInChI=1S/C148H209NO6P2/c1-13-25-37-49-61-81-113-101-121(89-65-53-41-29-17-5)137(122(102-113)90-66-54-42-30-18-6)133-109-117-85-73-77-97-129(117)141-142-130-98-78-74-86-118(130)110-134(138-123(91-67-55-43-31-19-7)103-114(82-62-50-38-26-14-2)104-124(138)92-68-56-44-32-20-8)146(142)153-156(150,152-145(133)141)149-157(151)154-147-135(139-125(93-69-57-45-33-21-9)105-115(83-63-51-39-27-15-3)106-126(139)94-70-58-46-34-22-10)111-119-87-75-79-99-131(119)143(147)144-132-100-80-76-88-120(132)112-136(148(144)155-157)140-127(95-71-59-47-35-23-11)107-116(84-64-52-40-28-16-4)108-128(140)96-72-60-48-36-24-12/h73-80,85-88,97-112H,13-72,81-84,89-96H2,1-12H3,(H,149,150,151)
InChIKeyDBLOAIJPABYDLL-UHFFFAOYSA-N
XLogP48.50
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds78
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002160.25
LogP ≤ 548.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine with MolForge

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Related Compounds

10,16-dihexyl-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 23110728
10,16-didecyl-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 23110740
9-naphthalen-2-yl-2-octylanthracene
CID 174689718
3-decyl-N-methylnaphthalen-1-amine
CID 175279970
1-naphthalen-1-yl-3-pentylnaphthalene
CID 23002709
5,11-bis(4-pentylphenyl)tetracene
CID 132571362
1-tetradecylnaphthalene
CID 14402128
1,2,3-trioctylnaphthalene
CID 20513034
4-decyl-N-methylnaphthalen-2-amine
CID 174691059
3-hexadecyl-2-hydroxynaphthalene-1-carboxylic acid
CID 21475806
3-octylnaphthalene-1,2-disulfonic acid
CID 18944571
potassium 6,8-di(tetradecyl)naphthalene-2-sulfonate
CID 101324155

Frequently Asked Questions

What is the IUPAC name of 13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The IUPAC name of 13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine (CID 175898679) is 13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.
What is the SMILES notation for 13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The canonical SMILES for 13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine is CCCCCCCc1cc(CCCCCCC)c(-c2cc3ccccc3c3c2OP(=O)(NP2(=O)Oc4c(-c5c(CCCCCCC)cc(CCCCCCC)cc5CCCCCCC)cc5ccccc5c4-c4c(c(-c5c(CCCCCCC)cc(CCCCCCC)cc5CCCCCCC)cc5ccccc45)O2)Oc2c(-c4c(CCCCCCC)cc(CCCCCCC)cc4CCCCCCC)cc4ccccc4c2-3)c(CCCCCCC)c1.
What is the InChIKey of 13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
The InChIKey is DBLOAIJPABYDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H209NO6P2/c1-13-25-37-49-61-81-113-101-121(89-65-53-41-29-17-5)137(122(102-113)90-66-54-42-30-18-6)133-109-117-85-73-77-97-129(117)141-142-130-98-78-74-86-118(130)110-134(138-123(91-67-55-43-31-19-7)103-114(82-62-50-38-26-14-2)104-124(138)92-68-56-44-32-20-8)146(142)153-156(150,152-145(133)141)149-157(151)154-147-135(139-125(93-69-57-45-33-21-9)105-115(83-63-51-39-27-15-3)106-126(139)94-70-58-46-34-22-10)111-119-87-75-79-99-131(119)143(147)144-132-100-80-76-88-120(132)112-136(148(144)155-157)140-127(95-71-59-47-35-23-11)107-116(84-64-52-40-28-16-4)108-128(140)96-72-60-48-36-24-12/h73-80,85-88,97-112H,13-72,81-84,89-96H2,1-12H3,(H,149,150,151).
What are the key properties of 13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine?
13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine has a molecular weight of 2160.25 g/mol, XLogP of 48.50, 78 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxo-N-[13-oxo-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]-10,16-bis(2,4,6-triheptylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine is sourced from PubChem (CID 175898679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).