4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene

C215H240O20P10 — CID 102143987

IUPAC4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene
SMILESO=P(CCCCCCOc1cc2c(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)cc1Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C215H240O20P10/c216-236(186-101-41-21-42-102-186,187-103-43-22-44-104-187)151-91-11-1-81-141-226-206-166-177-162-179-169-211(231-146-86-6-16-96-156-241(221,196-121-61-31-62-122-196)197-123-63-32-64-124-197)181(171-210(179)230-145-85-5-15-95-155-240(220,194-117-57-29-58-118-194)195-119-59-30-60-120-195)164-183-173-215(235-150-90-10-20-100-160-245(225,204-137-77-39-78-138-204)205-139-79-40-80-140-205)185(175-214(183)234-149-89-9-19-99-159-244(224,202-133-73-37-74-134-202)203-135-75-38-76-136-203)165-184-174-212(232-147-87-7-17-97-157-242(222,198-125-65-33-66-126-198)199-127-67-34-68-128-199)182(172-213(184)233-148-88-8-18-98-158-243(223,200-129-69-35-70-130-200)201-131-71-36-72-132-201)163-180-170-208(228-143-83-3-13-93-153-238(218,190-109-49-25-50-110-190)191-111-51-26-52-112-191)178(168-209(180)229-144-84-4-14-94-154-239(219,192-113-53-27-54-114-192)193-115-55-28-56-116-193)161-176(206)167-207(177)227-142-82-2-12-92-152-237(217,188-105-45-23-46-106-188)189-107-47-24-48-108-189/h21-80,101-140,166-175H,1-20,81-100,141-165H2
InChIKeyCPEXQJFOUKIQIV-UHFFFAOYSA-N
MW3454.00 g/mol
LogP47.49
Rot. Bonds100

About 4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene

4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene (PubChem CID 102143987) has the molecular formula C215H240O20P10 and a molecular weight of 3454.00 g/mol. Its IUPAC name is 4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene.

Molecular Properties

Compound Name4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene
PubChem CID102143987
Molecular FormulaC215H240O20P10
Molecular Weight3454.00 g/mol
Exact Mass3451.51
IUPAC Name4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene
SMILESO=P(CCCCCCOc1cc2c(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)cc1Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C215H240O20P10/c216-236(186-101-41-21-42-102-186,187-103-43-22-44-104-187)151-91-11-1-81-141-226-206-166-177-162-179-169-211(231-146-86-6-16-96-156-241(221,196-121-61-31-62-122-196)197-123-63-32-64-124-197)181(171-210(179)230-145-85-5-15-95-155-240(220,194-117-57-29-58-118-194)195-119-59-30-60-120-195)164-183-173-215(235-150-90-10-20-100-160-245(225,204-137-77-39-78-138-204)205-139-79-40-80-140-205)185(175-214(183)234-149-89-9-19-99-159-244(224,202-133-73-37-74-134-202)203-135-75-38-76-136-203)165-184-174-212(232-147-87-7-17-97-157-242(222,198-125-65-33-66-126-198)199-127-67-34-68-128-199)182(172-213(184)233-148-88-8-18-98-158-243(223,200-129-69-35-70-130-200)201-131-71-36-72-132-201)163-180-170-208(228-143-83-3-13-93-153-238(218,190-109-49-25-50-110-190)191-111-51-26-52-112-191)178(168-209(180)229-144-84-4-14-94-154-239(219,192-113-53-27-54-114-192)193-115-55-28-56-116-193)161-176(206)167-207(177)227-142-82-2-12-92-152-237(217,188-105-45-23-46-106-188)189-107-47-24-48-108-189/h21-80,101-140,166-175H,1-20,81-100,141-165H2
InChIKeyCPEXQJFOUKIQIV-UHFFFAOYSA-N
XLogP47.49
TPSA263.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds100
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003454.00
LogP ≤ 547.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene with MolForge

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Related Compounds

[6-methoxyhexyl(phenyl)phosphoryl]benzene
CID 141463056
25,26,27,28-tetrakis(2-diphenylphosphorylethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 100934557
4,9,14,19,24-pentaoctoxy-26,28,30,32,34-pentakis(phenylmethoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene
CID 139095510
4,9,14,19,24,29,31,33,35,37,39,41-dodecaoctoxyheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetraconta-1(30),3(42),4,6(41),8(40),9,11(39),13(38),14,16(37),18,20,23,25,28,31,33,35-octadecaene
CID 56647445
5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101359029
[(12-diphenylphosphoryl-5,8-dimethylidenedodec-6-ynyl)-phenylphosphoryl]benzene
CID 102002556
[2-ethoxyethyl(phenyl)phosphoryl]benzene
CID 2304634
1-(2-diphenylphosphorylethyl)-4-methylpiperazine
CID 785565
3-diphenylphosphorylpropyl 4-methylbenzenesulfonate
CID 10341723
1,5-bis(2-diphenylphosphorylethyl)-1,5-diazocane
CID 12983468
2-deuterio-4-diphenylphosphorylbutan-1-ol
CID 11460046
12-phenoxydodecylphosphonic acid
CID 102430070

Frequently Asked Questions

What is the IUPAC name of 4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene?
The IUPAC name of 4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene (CID 102143987) is 4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene.
What is the SMILES notation for 4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene?
The canonical SMILES for 4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene is O=P(CCCCCCOc1cc2c(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)cc1Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)Cc1cc(OCCCCCCP(=O)(c3ccccc3)c3ccccc3)c(cc1OCCCCCCP(=O)(c1ccccc1)c1ccccc1)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene?
The InChIKey is CPEXQJFOUKIQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C215H240O20P10/c216-236(186-101-41-21-42-102-186,187-103-43-22-44-104-187)151-91-11-1-81-141-226-206-166-177-162-179-169-211(231-146-86-6-16-96-156-241(221,196-121-61-31-62-122-196)197-123-63-32-64-124-197)181(171-210(179)230-145-85-5-15-95-155-240(220,194-117-57-29-58-118-194)195-119-59-30-60-120-195)164-183-173-215(235-150-90-10-20-100-160-245(225,204-137-77-39-78-138-204)205-139-79-40-80-140-205)185(175-214(183)234-149-89-9-19-99-159-244(224,202-133-73-37-74-134-202)203-135-75-38-76-136-203)165-184-174-212(232-147-87-7-17-97-157-242(222,198-125-65-33-66-126-198)199-127-67-34-68-128-199)182(172-213(184)233-148-88-8-18-98-158-243(223,200-129-69-35-70-130-200)201-131-71-36-72-132-201)163-180-170-208(228-143-83-3-13-93-153-238(218,190-109-49-25-50-110-190)191-111-51-26-52-112-191)178(168-209(180)229-144-84-4-14-94-154-239(219,192-113-53-27-54-114-192)193-115-55-28-56-116-193)161-176(206)167-207(177)227-142-82-2-12-92-152-237(217,188-105-45-23-46-106-188)189-107-47-24-48-108-189/h21-80,101-140,166-175H,1-20,81-100,141-165H2.
What are the key properties of 4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene?
4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene has a molecular weight of 3454.00 g/mol, XLogP of 47.49, 100 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,14,19,24,26,28,30,32,34-decakis(6-diphenylphosphorylhexoxy)hexacyclo[21.2.2.23,6.28,11.213,16.218,21]pentatriaconta-1(25),3(35),4,6(34),8(33),9,11(32),13(31),14,16(30),18,20,23,26,28-pentadecaene is sourced from PubChem (CID 102143987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).