3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene

C125H116O7 — CID 101247818

IUPAC3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene
SMILESCCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCc1cc3ccccc3c3c1OC(c1ccccc1)(c1ccccc1)C=C3)Cc1cc(C(C)(C)C)cc(c1OCc1cc3ccccc3c3c1OC(c1ccccc1)(c1ccccc1)C=C3)Cc1cc(C(C)(C)C)cc(c1OCc1cc3ccccc3c3c1OC(c1ccccc1)(c1ccccc1)C=C3)C2
InChIInChI=1S/C125H116O7/c1-14-63-126-112-85-67-87-73-103(120(5,6)7)75-89(113(87)127-79-93-64-82-39-33-36-54-106(82)109-57-60-123(130-116(93)109,96-42-21-15-22-43-96)97-44-23-16-24-45-97)69-91-77-105(122(11,12)13)78-92(115(91)129-81-95-66-84-41-35-38-56-108(84)111-59-62-125(132-118(95)111,100-50-29-19-30-51-100)101-52-31-20-32-53-101)70-90-76-104(121(8,9)10)74-88(68-86(112)72-102(71-85)119(2,3)4)114(90)128-80-94-65-83-40-34-37-55-107(83)110-58-61-124(131-117(94)110,98-46-25-17-26-47-98)99-48-27-18-28-49-99/h15-62,64-66,71-78H,14,63,67-70,79-81H2,1-13H3
InChIKeyXFGJTBAWVKJERH-UHFFFAOYSA-N
MW1730.30 g/mol
LogP30.59
Rot. Bonds18

About 3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene

3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene (PubChem CID 101247818) has the molecular formula C125H116O7 and a molecular weight of 1730.30 g/mol. Its IUPAC name is 3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene.

Molecular Properties

Compound Name3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene
PubChem CID101247818
Molecular FormulaC125H116O7
Molecular Weight1730.30 g/mol
Exact Mass1728.87
IUPAC Name3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene
SMILESCCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCc1cc3ccccc3c3c1OC(c1ccccc1)(c1ccccc1)C=C3)Cc1cc(C(C)(C)C)cc(c1OCc1cc3ccccc3c3c1OC(c1ccccc1)(c1ccccc1)C=C3)Cc1cc(C(C)(C)C)cc(c1OCc1cc3ccccc3c3c1OC(c1ccccc1)(c1ccccc1)C=C3)C2
InChIInChI=1S/C125H116O7/c1-14-63-126-112-85-67-87-73-103(120(5,6)7)75-89(113(87)127-79-93-64-82-39-33-36-54-106(82)109-57-60-123(130-116(93)109,96-42-21-15-22-43-96)97-44-23-16-24-45-97)69-91-77-105(122(11,12)13)78-92(115(91)129-81-95-66-84-41-35-38-56-108(84)111-59-62-125(132-118(95)111,100-50-29-19-30-51-100)101-52-31-20-32-53-101)70-90-76-104(121(8,9)10)74-88(68-86(112)72-102(71-85)119(2,3)4)114(90)128-80-94-65-83-40-34-37-55-107(83)110-58-61-124(131-117(94)110,98-46-25-17-26-47-98)99-48-27-18-28-49-99/h15-62,64-66,71-78H,14,63,67-70,79-81H2,1-13H3
InChIKeyXFGJTBAWVKJERH-UHFFFAOYSA-N
XLogP30.59
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001730.30
LogP ≤ 530.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene with MolForge

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Related Compounds

N-[(3,3-diphenylbenzo[f]chromen-5-yl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 11813174
diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-pentacyclo[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-dodecaenyl)oxy]phosphane
CID 89382009
10,16,22,59-tetratert-butyl-63,64-dipropoxy-3,6,26,29-tetraoxaundecacyclo[29.15.7.78,24.114,18.137,41.148,52.02,43.07,12.020,25.030,35.157,61]tetrahexaconta-1(46),2(43),7,9,11,14(63),15,17,20,22,24,30(35),31,33,37,39,41(55),44,48(54),49,51,57,59,61(64)-tetracosaene-54,55-diol
CID 101336103
5-methyl-2,2-diphenylbenzo[h]chromene
CID 23371123
diphenyl-[6-[[5,11,17,23-tetratert-butyl-27-[(6-diphenylphosphanyl-2-pyridinyl)methoxy]-26,28-dipropoxy-25-pentacyclo[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-dodecaenyl]oxymethyl]-2-pyridinyl]phosphane
CID 102240791
tert-butyl N-(3,3-diphenylbenzo[f]chromen-5-yl)carbamate
CID 132609095
25,27-bis(2-anthracen-9-yloxyethoxy)-26,28-dipropoxypentacyclo[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 102427600
(3,3-diphenylbenzo[f]chromen-5-yl) trifluoromethanesulfonate
CID 10983702
11,23-ditert-butyl-4-iodo-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 102450399
25,26,27,28-tetrakis[2-(anthracen-9-ylmethylsulfanyl)ethoxy]-5,11,17,23-tetratert-butylpentacyclo[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 101054641
2-[3-(4-formylphenyl)-3-phenylbenzo[f]chromen-5-yl]oxyethyl acetate
CID 146551934
2,2,5-triphenylbenzo[h]chromene
CID 13007765

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene?
The IUPAC name of 3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene (CID 101247818) is 3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene.
What is the SMILES notation for 3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene?
The canonical SMILES for 3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene is CCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCc1cc3ccccc3c3c1OC(c1ccccc1)(c1ccccc1)C=C3)Cc1cc(C(C)(C)C)cc(c1OCc1cc3ccccc3c3c1OC(c1ccccc1)(c1ccccc1)C=C3)Cc1cc(C(C)(C)C)cc(c1OCc1cc3ccccc3c3c1OC(c1ccccc1)(c1ccccc1)C=C3)C2.
What is the InChIKey of 3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene?
The InChIKey is XFGJTBAWVKJERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C125H116O7/c1-14-63-126-112-85-67-87-73-103(120(5,6)7)75-89(113(87)127-79-93-64-82-39-33-36-54-106(82)109-57-60-123(130-116(93)109,96-42-21-15-22-43-96)97-44-23-16-24-45-97)69-91-77-105(122(11,12)13)78-92(115(91)129-81-95-66-84-41-35-38-56-108(84)111-59-62-125(132-118(95)111,100-50-29-19-30-51-100)101-52-31-20-32-53-101)70-90-76-104(121(8,9)10)74-88(68-86(112)72-102(71-85)119(2,3)4)114(90)128-80-94-65-83-40-34-37-55-107(83)110-58-61-124(131-117(94)110,98-46-25-17-26-47-98)99-48-27-18-28-49-99/h15-62,64-66,71-78H,14,63,67-70,79-81H2,1-13H3.
What are the key properties of 3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene?
3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene has a molecular weight of 1730.30 g/mol, XLogP of 30.59, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-5-[[5,11,17,23-tetratert-butyl-26,27-bis[(3,3-diphenylbenzo[f]chromen-5-yl)methoxy]-28-propoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]oxymethyl]benzo[f]chromene is sourced from PubChem (CID 101247818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).