bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane

C234H204NO31P — CID 139261079

IUPACbis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(c2ccccc2P(c2ccc(OCc3cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3)cc2)c2ccc(OCc3cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3)cc2)=N1
InChIInChI=1S/C234H204NO31P/c1-168(2)232-167-266-234(235-232)231-85-51-52-86-233(231)267(229-91-87-199(88-92-229)236-153-185-95-217(254-163-195-115-221(258-155-187-99-201(238-137-169-53-19-3-20-54-169)123-202(100-187)239-138-170-55-21-4-22-56-170)133-222(116-195)259-156-188-101-203(240-139-171-57-23-5-24-58-171)124-204(102-188)241-140-172-59-25-6-26-60-172)131-218(96-185)255-164-196-117-223(260-157-189-103-205(242-141-173-61-27-7-28-62-173)125-206(104-189)243-142-174-63-29-8-30-64-174)134-224(118-196)261-158-190-105-207(244-143-175-65-31-9-32-66-175)126-208(106-190)245-144-176-67-33-10-34-68-176)230-93-89-200(90-94-230)237-154-186-97-219(256-165-197-119-225(262-159-191-107-209(246-145-177-69-35-11-36-70-177)127-210(108-191)247-146-178-71-37-12-38-72-178)135-226(120-197)263-160-192-109-211(248-147-179-73-39-13-40-74-179)128-212(110-192)249-148-180-75-41-14-42-76-180)132-220(98-186)257-166-198-121-227(264-161-193-111-213(250-149-181-77-43-15-44-78-181)129-214(112-193)251-150-182-79-45-16-46-80-182)136-228(122-198)265-162-194-113-215(252-151-183-81-47-17-48-82-183)130-216(114-194)253-152-184-83-49-18-50-84-184/h3-136,168,232H,137-167H2,1-2H3/t232-/m1/s1
InChIKeyZBQBVDZKDIORQS-PUHMCIRMSA-N
MW3557.16 g/mol
LogP51.62
Rot. Bonds95

About bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane

bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (PubChem CID 139261079) has the molecular formula C234H204NO31P and a molecular weight of 3557.16 g/mol. Its IUPAC name is bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.

Molecular Properties

Compound Namebis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
PubChem CID139261079
Molecular FormulaC234H204NO31P
Molecular Weight3557.16 g/mol
Exact Mass3554.42
IUPAC Namebis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(c2ccccc2P(c2ccc(OCc3cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3)cc2)c2ccc(OCc3cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3)cc2)=N1
InChIInChI=1S/C234H204NO31P/c1-168(2)232-167-266-234(235-232)231-85-51-52-86-233(231)267(229-91-87-199(88-92-229)236-153-185-95-217(254-163-195-115-221(258-155-187-99-201(238-137-169-53-19-3-20-54-169)123-202(100-187)239-138-170-55-21-4-22-56-170)133-222(116-195)259-156-188-101-203(240-139-171-57-23-5-24-58-171)124-204(102-188)241-140-172-59-25-6-26-60-172)131-218(96-185)255-164-196-117-223(260-157-189-103-205(242-141-173-61-27-7-28-62-173)125-206(104-189)243-142-174-63-29-8-30-64-174)134-224(118-196)261-158-190-105-207(244-143-175-65-31-9-32-66-175)126-208(106-190)245-144-176-67-33-10-34-68-176)230-93-89-200(90-94-230)237-154-186-97-219(256-165-197-119-225(262-159-191-107-209(246-145-177-69-35-11-36-70-177)127-210(108-191)247-146-178-71-37-12-38-72-178)135-226(120-197)263-160-192-109-211(248-147-179-73-39-13-40-74-179)128-212(110-192)249-148-180-75-41-14-42-76-180)132-220(98-186)257-166-198-121-227(264-161-193-111-213(250-149-181-77-43-15-44-78-181)129-214(112-193)251-150-182-79-45-16-46-80-182)136-228(122-198)265-162-194-113-215(252-151-183-81-47-17-48-82-183)130-216(114-194)253-152-184-83-49-18-50-84-184/h3-136,168,232H,137-167H2,1-2H3/t232-/m1/s1
InChIKeyZBQBVDZKDIORQS-PUHMCIRMSA-N
XLogP51.62
TPSA298.49 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds95
Heavy Atoms267
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003557.16
LogP ≤ 551.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The IUPAC name of bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (CID 139261079) is bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.
What is the SMILES notation for bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The canonical SMILES for bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is CC(C)[C@H]1COC(c2ccccc2P(c2ccc(OCc3cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3)cc2)c2ccc(OCc3cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)cc(OCc4cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)cc(OCc5cc(OCc6ccccc6)cc(OCc6ccccc6)c5)c4)c3)cc2)=N1.
What is the InChIKey of bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The InChIKey is ZBQBVDZKDIORQS-PUHMCIRMSA-N. The full InChI is InChI=1S/C234H204NO31P/c1-168(2)232-167-266-234(235-232)231-85-51-52-86-233(231)267(229-91-87-199(88-92-229)236-153-185-95-217(254-163-195-115-221(258-155-187-99-201(238-137-169-53-19-3-20-54-169)123-202(100-187)239-138-170-55-21-4-22-56-170)133-222(116-195)259-156-188-101-203(240-139-171-57-23-5-24-58-171)124-204(102-188)241-140-172-59-25-6-26-60-172)131-218(96-185)255-164-196-117-223(260-157-189-103-205(242-141-173-61-27-7-28-62-173)125-206(104-189)243-142-174-63-29-8-30-64-174)134-224(118-196)261-158-190-105-207(244-143-175-65-31-9-32-66-175)126-208(106-190)245-144-176-67-33-10-34-68-176)230-93-89-200(90-94-230)237-154-186-97-219(256-165-197-119-225(262-159-191-107-209(246-145-177-69-35-11-36-70-177)127-210(108-191)247-146-178-71-37-12-38-72-178)135-226(120-197)263-160-192-109-211(248-147-179-73-39-13-40-74-179)128-212(110-192)249-148-180-75-41-14-42-76-180)132-220(98-186)257-166-198-121-227(264-161-193-111-213(250-149-181-77-43-15-44-78-181)129-214(112-193)251-150-182-79-45-16-46-80-182)136-228(122-198)265-162-194-113-215(252-151-183-81-47-17-48-82-183)130-216(114-194)253-152-184-83-49-18-50-84-184/h3-136,168,232H,137-167H2,1-2H3/t232-/m1/s1.
What are the key properties of bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane has a molecular weight of 3557.16 g/mol, XLogP of 51.62, 95 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is sourced from PubChem (CID 139261079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).