5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene

C162H101N7O — CID 129289213

IUPAC5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)Oc6cc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cccc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)c%11)c%10)ccc98)cc8c9cc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12cccc(-c%13cc(-c%14ccccc%14)cc(-c%14ccccc%14)c%13)c%12)ccc%11%10)ccc9n-7c68)ccc54)c3)c2)cc1
InChIInChI=1S/C162H101N7O/c1-7-34-102(35-8-1)117-80-118(103-36-9-2-10-37-103)84-123(83-117)108-46-31-49-126(89-108)163-146-58-25-19-52-132(146)138-92-111(64-72-152(138)163)114-67-75-155-141(95-114)135-55-22-28-61-149(135)166(155)129-70-78-158-144(98-129)145-99-131(168-151-63-30-24-57-137(151)143-97-116(69-77-157(143)168)113-66-74-154-140(94-113)134-54-21-27-60-148(134)165(154)128-51-33-48-110(91-128)125-87-121(106-42-15-5-16-43-106)82-122(88-125)107-44-17-6-18-45-107)101-161-162(145)169(158)159-79-71-130(100-160(159)170-161)167-150-62-29-23-56-136(150)142-96-115(68-76-156(142)167)112-65-73-153-139(93-112)133-53-20-26-59-147(133)164(153)127-50-32-47-109(90-127)124-85-119(104-38-11-3-12-39-104)81-120(86-124)105-40-13-4-14-41-105/h1-101H
InChIKeyUPIUTPFKKLUDJF-UHFFFAOYSA-N
MW2161.64 g/mol
LogP43.48
Rot. Bonds18

About 5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene

5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene (PubChem CID 129289213) has the molecular formula C162H101N7O and a molecular weight of 2161.64 g/mol. Its IUPAC name is 5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene.

Molecular Properties

Compound Name5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
PubChem CID129289213
Molecular FormulaC162H101N7O
Molecular Weight2161.64 g/mol
Exact Mass2159.81
IUPAC Name5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)Oc6cc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cccc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)c%11)c%10)ccc98)cc8c9cc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12cccc(-c%13cc(-c%14ccccc%14)cc(-c%14ccccc%14)c%13)c%12)ccc%11%10)ccc9n-7c68)ccc54)c3)c2)cc1
InChIInChI=1S/C162H101N7O/c1-7-34-102(35-8-1)117-80-118(103-36-9-2-10-37-103)84-123(83-117)108-46-31-49-126(89-108)163-146-58-25-19-52-132(146)138-92-111(64-72-152(138)163)114-67-75-155-141(95-114)135-55-22-28-61-149(135)166(155)129-70-78-158-144(98-129)145-99-131(168-151-63-30-24-57-137(151)143-97-116(69-77-157(143)168)113-66-74-154-140(94-113)134-54-21-27-60-148(134)165(154)128-51-33-48-110(91-128)125-87-121(106-42-15-5-16-43-106)82-122(88-125)107-44-17-6-18-45-107)101-161-162(145)169(158)159-79-71-130(100-160(159)170-161)167-150-62-29-23-56-136(150)142-96-115(68-76-156(142)167)112-65-73-153-139(93-112)133-53-20-26-59-147(133)164(153)127-50-32-47-109(90-127)124-85-119(104-38-11-3-12-39-104)81-120(86-124)105-40-13-4-14-41-105/h1-101H
InChIKeyUPIUTPFKKLUDJF-UHFFFAOYSA-N
XLogP43.48
TPSA43.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002161.64
LogP ≤ 543.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
The IUPAC name of 5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene (CID 129289213) is 5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene.
What is the SMILES notation for 5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
The canonical SMILES for 5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)Oc6cc(-n8c9ccccc9c9cc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10cccc(-c%11cc(-c%12ccccc%12)cc(-c%12ccccc%12)c%11)c%10)ccc98)cc8c9cc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12cccc(-c%13cc(-c%14ccccc%14)cc(-c%14ccccc%14)c%13)c%12)ccc%11%10)ccc9n-7c68)ccc54)c3)c2)cc1.
What is the InChIKey of 5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
The InChIKey is UPIUTPFKKLUDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C162H101N7O/c1-7-34-102(35-8-1)117-80-118(103-36-9-2-10-37-103)84-123(83-117)108-46-31-49-126(89-108)163-146-58-25-19-52-132(146)138-92-111(64-72-152(138)163)114-67-75-155-141(95-114)135-55-22-28-61-149(135)166(155)129-70-78-158-144(98-129)145-99-131(168-151-63-30-24-57-137(151)143-97-116(69-77-157(143)168)113-66-74-154-140(94-113)134-54-21-27-60-148(134)165(154)128-51-33-48-110(91-128)125-87-121(106-42-15-5-16-43-106)82-122(88-125)107-44-17-6-18-45-107)101-161-162(145)169(158)159-79-71-130(100-160(159)170-161)167-150-62-29-23-56-136(150)142-96-115(68-76-156(142)167)112-65-73-153-139(93-112)133-53-20-26-59-147(133)164(153)127-50-32-47-109(90-127)124-85-119(104-38-11-3-12-39-104)81-120(86-124)105-40-13-4-14-41-105/h1-101H.
What are the key properties of 5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene?
5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene has a molecular weight of 2161.64 g/mol, XLogP of 43.48, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,16-tris[3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene is sourced from PubChem (CID 129289213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).