5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin

C199H171BrN12O30 — CID 101188906

IUPAC5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin
SMILESCOc1cc(COc2cc(COc3cc(OCc4cc(OCc5cc(OC)cc(OC)c5)cc(OCc5cc(OC)cc(OC)c5)c4)cc(-c4c5nc(cc6ccc([nH]6)c(-c6ccc(COc7cc(OCc8ccc(-c9c%10nc(cc%11ccc([nH]%11)c(-c%11cc(OCc%12cc(OCc%13cc(OC)cc(OC)c%13)cc(OCc%13cc(OC)cc(OC)c%13)c%12)cc(OCc%12cc(OCc%13cc(OC)cc(OC)c%13)cc(OCc%13cc(OC)cc(OC)c%13)c%12)c%11)c%11nc(cc%12ccc9[nH]%12)C=C%11)C=C%10)cc8)cc(-c8c9nc(cc%10ccc([nH]%10)c(-c%10ccc(CBr)cc%10)c%10nc(cc%11ccc8[nH]%11)C=C%10)C=C9)c7)cc6)c6nc(cc7ccc4[nH]7)C=C6)C=C5)c3)cc(OCc3cc(OC)cc(OC)c3)c2)cc(OC)c1
InChIInChI=1S/C199H171BrN12O30/c1-213-152-53-122(54-153(89-152)214-2)107-231-168-69-130(70-169(97-168)232-108-123-55-154(215-3)90-155(56-123)216-4)115-239-178-79-138(80-179(102-178)240-116-131-71-170(233-109-124-57-156(217-5)91-157(58-124)218-6)98-171(72-131)234-110-125-59-158(219-7)92-159(60-125)220-8)198-190-49-37-148(209-190)85-142-31-43-184(203-142)195(185-44-32-143(204-185)86-149-38-50-191(198)210-149)135-25-19-120(20-26-135)105-229-176-77-137(197-188-47-35-146(207-188)83-140-29-41-182(201-140)194(134-23-17-119(104-200)18-24-134)183-42-30-141(202-183)84-147-36-48-189(197)208-147)78-177(101-176)230-106-121-21-27-136(28-22-121)196-186-45-33-144(205-186)87-150-39-51-192(211-150)199(193-52-40-151(212-193)88-145-34-46-187(196)206-145)139-81-180(241-117-132-73-172(235-111-126-61-160(221-9)93-161(62-126)222-10)99-173(74-132)236-112-127-63-162(223-11)94-163(64-127)224-12)103-181(82-139)242-118-133-75-174(237-113-128-65-164(225-13)95-165(66-128)226-14)100-175(76-133)238-114-129-67-166(227-15)96-167(68-129)228-16/h17-103,201,203,205,208,210,212H,104-118H2,1-16H3/b140-83-,141-84-,142-85-,143-86-,144-87-,145-88-,146-83-,147-84-,148-85-,149-86-,150-87-,151-88-,194-182-,194-183-,195-184-,195-185-,196-186-,196-187-,197-188-,197-189-,198-190-,198-191-,199-192-,199-193-
InChIKeyGDNGTQSXSIECCN-ZLRGTBDESA-N
MW3290.51 g/mol
LogP43.73
Rot. Bonds65

About 5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin

5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin (PubChem CID 101188906) has the molecular formula C199H171BrN12O30 and a molecular weight of 3290.51 g/mol. Its IUPAC name is 5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin
PubChem CID101188906
Molecular FormulaC199H171BrN12O30
Molecular Weight3290.51 g/mol
Exact Mass3287.14
IUPAC Name5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin
SMILESCOc1cc(COc2cc(COc3cc(OCc4cc(OCc5cc(OC)cc(OC)c5)cc(OCc5cc(OC)cc(OC)c5)c4)cc(-c4c5nc(cc6ccc([nH]6)c(-c6ccc(COc7cc(OCc8ccc(-c9c%10nc(cc%11ccc([nH]%11)c(-c%11cc(OCc%12cc(OCc%13cc(OC)cc(OC)c%13)cc(OCc%13cc(OC)cc(OC)c%13)c%12)cc(OCc%12cc(OCc%13cc(OC)cc(OC)c%13)cc(OCc%13cc(OC)cc(OC)c%13)c%12)c%11)c%11nc(cc%12ccc9[nH]%12)C=C%11)C=C%10)cc8)cc(-c8c9nc(cc%10ccc([nH]%10)c(-c%10ccc(CBr)cc%10)c%10nc(cc%11ccc8[nH]%11)C=C%10)C=C9)c7)cc6)c6nc(cc7ccc4[nH]7)C=C6)C=C5)c3)cc(OCc3cc(OC)cc(OC)c3)c2)cc(OC)c1
InChIInChI=1S/C199H171BrN12O30/c1-213-152-53-122(54-153(89-152)214-2)107-231-168-69-130(70-169(97-168)232-108-123-55-154(215-3)90-155(56-123)216-4)115-239-178-79-138(80-179(102-178)240-116-131-71-170(233-109-124-57-156(217-5)91-157(58-124)218-6)98-171(72-131)234-110-125-59-158(219-7)92-159(60-125)220-8)198-190-49-37-148(209-190)85-142-31-43-184(203-142)195(185-44-32-143(204-185)86-149-38-50-191(198)210-149)135-25-19-120(20-26-135)105-229-176-77-137(197-188-47-35-146(207-188)83-140-29-41-182(201-140)194(134-23-17-119(104-200)18-24-134)183-42-30-141(202-183)84-147-36-48-189(197)208-147)78-177(101-176)230-106-121-21-27-136(28-22-121)196-186-45-33-144(205-186)87-150-39-51-192(211-150)199(193-52-40-151(212-193)88-145-34-46-187(196)206-145)139-81-180(241-117-132-73-172(235-111-126-61-160(221-9)93-161(62-126)222-10)99-173(74-132)236-112-127-63-162(223-11)94-163(64-127)224-12)103-181(82-139)242-118-133-75-174(237-113-128-65-164(225-13)95-165(66-128)226-14)100-175(76-133)238-114-129-67-166(227-15)96-167(68-129)228-16/h17-103,201,203,205,208,210,212H,104-118H2,1-16H3/b140-83-,141-84-,142-85-,143-86-,144-87-,145-88-,146-83-,147-84-,148-85-,149-86-,150-87-,151-88-,194-182-,194-183-,195-184-,195-185-,196-186-,196-187-,197-188-,197-189-,198-190-,198-191-,199-192-,199-193-
InChIKeyGDNGTQSXSIECCN-ZLRGTBDESA-N
XLogP43.73
TPSA448.98 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds65
Heavy Atoms242
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003290.51
LogP ≤ 543.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin?
The IUPAC name of 5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin (CID 101188906) is 5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin.
What is the SMILES notation for 5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin?
The canonical SMILES for 5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin is COc1cc(COc2cc(COc3cc(OCc4cc(OCc5cc(OC)cc(OC)c5)cc(OCc5cc(OC)cc(OC)c5)c4)cc(-c4c5nc(cc6ccc([nH]6)c(-c6ccc(COc7cc(OCc8ccc(-c9c%10nc(cc%11ccc([nH]%11)c(-c%11cc(OCc%12cc(OCc%13cc(OC)cc(OC)c%13)cc(OCc%13cc(OC)cc(OC)c%13)c%12)cc(OCc%12cc(OCc%13cc(OC)cc(OC)c%13)cc(OCc%13cc(OC)cc(OC)c%13)c%12)c%11)c%11nc(cc%12ccc9[nH]%12)C=C%11)C=C%10)cc8)cc(-c8c9nc(cc%10ccc([nH]%10)c(-c%10ccc(CBr)cc%10)c%10nc(cc%11ccc8[nH]%11)C=C%10)C=C9)c7)cc6)c6nc(cc7ccc4[nH]7)C=C6)C=C5)c3)cc(OCc3cc(OC)cc(OC)c3)c2)cc(OC)c1.
What is the InChIKey of 5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin?
The InChIKey is GDNGTQSXSIECCN-ZLRGTBDESA-N. The full InChI is InChI=1S/C199H171BrN12O30/c1-213-152-53-122(54-153(89-152)214-2)107-231-168-69-130(70-169(97-168)232-108-123-55-154(215-3)90-155(56-123)216-4)115-239-178-79-138(80-179(102-178)240-116-131-71-170(233-109-124-57-156(217-5)91-157(58-124)218-6)98-171(72-131)234-110-125-59-158(219-7)92-159(60-125)220-8)198-190-49-37-148(209-190)85-142-31-43-184(203-142)195(185-44-32-143(204-185)86-149-38-50-191(198)210-149)135-25-19-120(20-26-135)105-229-176-77-137(197-188-47-35-146(207-188)83-140-29-41-182(201-140)194(134-23-17-119(104-200)18-24-134)183-42-30-141(202-183)84-147-36-48-189(197)208-147)78-177(101-176)230-106-121-21-27-136(28-22-121)196-186-45-33-144(205-186)87-150-39-51-192(211-150)199(193-52-40-151(212-193)88-145-34-46-187(196)206-145)139-81-180(241-117-132-73-172(235-111-126-61-160(221-9)93-161(62-126)222-10)99-173(74-132)236-112-127-63-162(223-11)94-163(64-127)224-12)103-181(82-139)242-118-133-75-174(237-113-128-65-164(225-13)95-165(66-128)226-14)100-175(76-133)238-114-129-67-166(227-15)96-167(68-129)228-16/h17-103,201,203,205,208,210,212H,104-118H2,1-16H3/b140-83-,141-84-,142-85-,143-86-,144-87-,145-88-,146-83-,147-84-,148-85-,149-86-,150-87-,151-88-,194-182-,194-183-,195-184-,195-185-,196-186-,196-187-,197-188-,197-189-,198-190-,198-191-,199-192-,199-193-.
What are the key properties of 5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin?
5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin has a molecular weight of 3290.51 g/mol, XLogP of 43.73, 65 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis[[4-[15-[3,5-bis[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methoxy]phenyl]-15-[4-(bromomethyl)phenyl]-21,23-dihydroporphyrin is sourced from PubChem (CID 101188906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).