12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C177H102N12 — CID 132605987

IUPAC12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1ccc2c(c1)c1cc(-n3c4ccc5ccccc5c4c4c5ccccc5ccc43)ccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc5c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc54)cc3)nc(-c3ccc(-n4c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc5c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc54)cc3)n2)cc1
InChIInChI=1S/C177H102N12/c1-13-37-127-103(25-1)55-79-151-163(127)164-128-38-14-2-26-104(128)56-80-152(164)184(151)121-73-91-145-139(97-121)140-98-122(185-153-81-57-105-27-3-15-39-129(105)165(153)166-130-40-16-4-28-106(130)58-82-154(166)185)74-92-146(140)181(145)118-67-49-115(50-68-118)175-178-176(116-51-69-119(70-52-116)182-147-93-75-123(186-155-83-59-107-29-5-17-41-131(107)167(155)168-132-42-18-6-30-108(132)60-84-156(168)186)99-141(147)142-100-124(76-94-148(142)182)187-157-85-61-109-31-7-19-43-133(109)169(157)170-134-44-20-8-32-110(134)62-86-158(170)187)180-177(179-175)117-53-71-120(72-54-117)183-149-95-77-125(188-159-87-63-111-33-9-21-45-135(111)171(159)172-136-46-22-10-34-112(136)64-88-160(172)188)101-143(149)144-102-126(78-96-150(144)183)189-161-89-65-113-35-11-23-47-137(113)173(161)174-138-48-24-12-36-114(138)66-90-162(174)189/h1-102H
InChIKeyWKSQPUYOFXWQMK-UHFFFAOYSA-N
MW2396.85 g/mol
LogP46.58
Rot. Bonds12

About 12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 132605987) has the molecular formula C177H102N12 and a molecular weight of 2396.85 g/mol. Its IUPAC name is 12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID132605987
Molecular FormulaC177H102N12
Molecular Weight2396.85 g/mol
Exact Mass2394.84
IUPAC Name12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1ccc2c(c1)c1cc(-n3c4ccc5ccccc5c4c4c5ccccc5ccc43)ccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc5c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc54)cc3)nc(-c3ccc(-n4c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc5c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc54)cc3)n2)cc1
InChIInChI=1S/C177H102N12/c1-13-37-127-103(25-1)55-79-151-163(127)164-128-38-14-2-26-104(128)56-80-152(164)184(151)121-73-91-145-139(97-121)140-98-122(185-153-81-57-105-27-3-15-39-129(105)165(153)166-130-40-16-4-28-106(130)58-82-154(166)185)74-92-146(140)181(145)118-67-49-115(50-68-118)175-178-176(116-51-69-119(70-52-116)182-147-93-75-123(186-155-83-59-107-29-5-17-41-131(107)167(155)168-132-42-18-6-30-108(132)60-84-156(168)186)99-141(147)142-100-124(76-94-148(142)182)187-157-85-61-109-31-7-19-43-133(109)169(157)170-134-44-20-8-32-110(134)62-86-158(170)187)180-177(179-175)117-53-71-120(72-54-117)183-149-95-77-125(188-159-87-63-111-33-9-21-45-135(111)171(159)172-136-46-22-10-34-112(136)64-88-160(172)188)101-143(149)144-102-126(78-96-150(144)183)189-161-89-65-113-35-11-23-47-137(113)173(161)174-138-48-24-12-36-114(138)66-90-162(174)189/h1-102H
InChIKeyWKSQPUYOFXWQMK-UHFFFAOYSA-N
XLogP46.58
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002396.85
LogP ≤ 546.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene with MolForge

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Related Compounds

12-[3-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449206
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
3-carbazol-9-yl-9-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 148633406
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470
3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 130353815
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 118133204
3-carbazol-9-yl-9-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]carbazole
CID 90211361
12-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118449213
12-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59103404
9-(4-carbazol-9-ylphenyl)-14-[4-[4-[4-[6-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]-9-phenylcarbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163928350
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90308422
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910

Frequently Asked Questions

What is the IUPAC name of 12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 132605987) is 12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc2c(c1)ccc1c2c2c3ccccc3ccc2n1-c1ccc2c(c1)c1cc(-n3c4ccc5ccccc5c4c4c5ccccc5ccc43)ccc1n2-c1ccc(-c2nc(-c3ccc(-n4c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc5c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc54)cc3)nc(-c3ccc(-n4c5ccc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)cc5c5cc(-n6c7ccc8ccccc8c7c7c8ccccc8ccc76)ccc54)cc3)n2)cc1.
What is the InChIKey of 12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is WKSQPUYOFXWQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C177H102N12/c1-13-37-127-103(25-1)55-79-151-163(127)164-128-38-14-2-26-104(128)56-80-152(164)184(151)121-73-91-145-139(97-121)140-98-122(185-153-81-57-105-27-3-15-39-129(105)165(153)166-130-40-16-4-28-106(130)58-82-154(166)185)74-92-146(140)181(145)118-67-49-115(50-68-118)175-178-176(116-51-69-119(70-52-116)182-147-93-75-123(186-155-83-59-107-29-5-17-41-131(107)167(155)168-132-42-18-6-30-108(132)60-84-156(168)186)99-141(147)142-100-124(76-94-148(142)182)187-157-85-61-109-31-7-19-43-133(109)169(157)170-134-44-20-8-32-110(134)62-86-158(170)187)180-177(179-175)117-53-71-120(72-54-117)183-149-95-77-125(188-159-87-63-111-33-9-21-45-135(111)171(159)172-136-46-22-10-34-112(136)64-88-160(172)188)101-143(149)144-102-126(78-96-150(144)183)189-161-89-65-113-35-11-23-47-137(113)173(161)174-138-48-24-12-36-114(138)66-90-162(174)189/h1-102H.
What are the key properties of 12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 2396.85 g/mol, XLogP of 46.58, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[6-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-9-[4-[4,6-bis[4-[3,6-bis(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 132605987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).