N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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

C130H106NO14P — CID 44515543

IUPACN,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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
SMILESc1ccc(COc2cc(COc3cc(CN(Cc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)p4oc5c(-c6ccccc6)cc6ccccc6c5c5c(o4)c(-c4ccccc4)cc4ccccc45)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C130H106NO14P/c1-11-35-93(36-12-1)81-132-115-63-103(64-116(75-115)133-82-94-37-13-2-14-38-94)89-140-111-59-101(60-112(73-111)141-90-104-65-117(134-83-95-39-15-3-16-40-95)76-118(66-104)135-84-96-41-17-4-18-42-96)79-131(146-144-129-125(107-51-27-9-28-52-107)71-109-55-31-33-57-123(109)127(129)128-124-58-34-32-56-110(124)72-126(130(128)145-146)108-53-29-10-30-54-108)80-102-61-113(142-91-105-67-119(136-85-97-43-19-5-20-44-97)77-120(68-105)137-86-98-45-21-6-22-46-98)74-114(62-102)143-92-106-69-121(138-87-99-47-23-7-24-48-99)78-122(70-106)139-88-100-49-25-8-26-50-100/h1-78H,79-92H2
InChIKeyCOFKNJAUWQOQGF-UHFFFAOYSA-N
MW1937.25 g/mol
LogP32.22
Rot. Bonds43

About N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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

N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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 44515543) has the molecular formula C130H106NO14P and a molecular weight of 1937.25 g/mol. Its IUPAC name is N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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 NameN,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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 CID44515543
Molecular FormulaC130H106NO14P
Molecular Weight1937.25 g/mol
Exact Mass1935.74
IUPAC NameN,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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
SMILESc1ccc(COc2cc(COc3cc(CN(Cc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)p4oc5c(-c6ccccc6)cc6ccccc6c5c5c(o4)c(-c4ccccc4)cc4ccccc45)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C130H106NO14P/c1-11-35-93(36-12-1)81-132-115-63-103(64-116(75-115)133-82-94-37-13-2-14-38-94)89-140-111-59-101(60-112(73-111)141-90-104-65-117(134-83-95-39-15-3-16-40-95)76-118(66-104)135-84-96-41-17-4-18-42-96)79-131(146-144-129-125(107-51-27-9-28-52-107)71-109-55-31-33-57-123(109)127(129)128-124-58-34-32-56-110(124)72-126(130(128)145-146)108-53-29-10-30-54-108)80-102-61-113(142-91-105-67-119(136-85-97-43-19-5-20-44-97)77-120(68-105)137-86-98-45-21-6-22-46-98)74-114(62-102)143-92-106-69-121(138-87-99-47-23-7-24-48-99)78-122(70-106)139-88-100-49-25-8-26-50-100/h1-78H,79-92H2
InChIKeyCOFKNJAUWQOQGF-UHFFFAOYSA-N
XLogP32.22
TPSA140.28 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds43
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001937.25
LogP ≤ 532.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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

N,N-dibenzyl-10,16-diphenyl-12,14-dioxa-13-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 44515234
13-methyl-10,16-diphenyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 59245357
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
13-hydroxy-10,16-bis(4-naphthalen-2-ylphenyl)-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 91591422
4-[3-[13-hydroxy-16-[3-(4-hydroxyphenyl)-5-phenylphenyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-5-phenylphenyl]phenol
CID 171703299
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol
CID 102320796
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
10-phenyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 102258108
2-phenyl-5-phenylmethoxyphenol
CID 123808909
[6-(hydroxymethyl)-4-phenylmethoxy-2-pyridinyl]methanol
CID 11436507

Frequently Asked Questions

What is the IUPAC name of N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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 N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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 44515543) is N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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 N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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 N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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 c1ccc(COc2cc(COc3cc(CN(Cc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)p4oc5c(-c6ccccc6)cc6ccccc6c5c5c(o4)c(-c4ccccc4)cc4ccccc45)cc(OCc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)c3)cc(OCc3ccccc3)c2)cc1.
What is the InChIKey of N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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 COFKNJAUWQOQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H106NO14P/c1-11-35-93(36-12-1)81-132-115-63-103(64-116(75-115)133-82-94-37-13-2-14-38-94)89-140-111-59-101(60-112(73-111)141-90-104-65-117(134-83-95-39-15-3-16-40-95)76-118(66-104)135-84-96-41-17-4-18-42-96)79-131(146-144-129-125(107-51-27-9-28-52-107)71-109-55-31-33-57-123(109)127(129)128-124-58-34-32-56-110(124)72-126(130(128)145-146)108-53-29-10-30-54-108)80-102-61-113(142-91-105-67-119(136-85-97-43-19-5-20-44-97)77-120(68-105)137-86-98-45-21-6-22-46-98)74-114(62-102)143-92-106-69-121(138-87-99-47-23-7-24-48-99)78-122(70-106)139-88-100-49-25-8-26-50-100/h1-78H,79-92H2.
What are the key properties of N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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?
N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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 1937.25 g/mol, XLogP of 32.22, 43 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]-10,16-diphenyl-12,14-dioxa-13-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 44515543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).