7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene

C144H80N12O3 — CID 138527703

IUPAC7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5c6c(cccc6n4)Oc4cc6cc(-c7ccc8c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc%11c%12c(cccc%12n%10)Oc%10ccc%12c(-c%13ccc%14c%15ccc(-c%16ccc%17c%18ccccc%18n(-c%18nc%19c%20c(cccc%20n%18)Oc%18c-%19ccc%19ccccc%18%19)c%17c%16)cc%15n(-c%15ccccc%15)c%14c%13)cccc%12c%10-%11)cc9n(-c9ccccc9)c8c7)ccc6cc4-5)cc32)cc1
InChIInChI=1S/C144H80N12O3/c1-4-25-93(26-5-1)151-117-41-16-12-32-99(117)103-59-52-87(75-123(103)151)83-57-67-121-111(71-83)101-34-14-18-43-119(101)154(121)142-145-114-38-21-45-129-135(114)139(149-142)113-73-85-49-48-82(70-92(85)80-133(113)158-129)86-51-61-105-106-62-53-88(76-125(106)152(124(105)74-86)94-27-6-2-7-28-94)84-58-68-122-112(72-84)102-35-15-19-44-120(102)155(122)144-147-116-40-22-46-130-137(116)140(150-144)134-109-37-20-36-96(98(109)66-69-132(134)157-130)91-56-64-108-107-63-55-89(77-126(107)153(127(108)79-91)95-29-8-3-9-30-95)90-54-60-104-100-33-13-17-42-118(100)156(128(104)78-90)143-146-115-39-23-47-131-136(115)138(148-143)110-65-50-81-24-10-11-31-97(81)141(110)159-131/h1-80H
InChIKeyWQZZCVWVIBFLAL-UHFFFAOYSA-N
MW2026.30 g/mol
LogP37.21
Rot. Bonds11

About 7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene

7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene (PubChem CID 138527703) has the molecular formula C144H80N12O3 and a molecular weight of 2026.30 g/mol. Its IUPAC name is 7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene.

Molecular Properties

Compound Name7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
PubChem CID138527703
Molecular FormulaC144H80N12O3
Molecular Weight2026.30 g/mol
Exact Mass2024.65
IUPAC Name7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5c6c(cccc6n4)Oc4cc6cc(-c7ccc8c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc%11c%12c(cccc%12n%10)Oc%10ccc%12c(-c%13ccc%14c%15ccc(-c%16ccc%17c%18ccccc%18n(-c%18nc%19c%20c(cccc%20n%18)Oc%18c-%19ccc%19ccccc%18%19)c%17c%16)cc%15n(-c%15ccccc%15)c%14c%13)cccc%12c%10-%11)cc9n(-c9ccccc9)c8c7)ccc6cc4-5)cc32)cc1
InChIInChI=1S/C144H80N12O3/c1-4-25-93(26-5-1)151-117-41-16-12-32-99(117)103-59-52-87(75-123(103)151)83-57-67-121-111(71-83)101-34-14-18-43-119(101)154(121)142-145-114-38-21-45-129-135(114)139(149-142)113-73-85-49-48-82(70-92(85)80-133(113)158-129)86-51-61-105-106-62-53-88(76-125(106)152(124(105)74-86)94-27-6-2-7-28-94)84-58-68-122-112(72-84)102-35-15-19-44-120(102)155(122)144-147-116-40-22-46-130-137(116)140(150-144)134-109-37-20-36-96(98(109)66-69-132(134)157-130)91-56-64-108-107-63-55-89(77-126(107)153(127(108)79-91)95-29-8-3-9-30-95)90-54-60-104-100-33-13-17-42-118(100)156(128(104)78-90)143-146-115-39-23-47-131-136(115)138(148-143)110-65-50-81-24-10-11-31-97(81)141(110)159-131/h1-80H
InChIKeyWQZZCVWVIBFLAL-UHFFFAOYSA-N
XLogP37.21
TPSA134.61 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.30
LogP ≤ 537.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
The IUPAC name of 7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene (CID 138527703) is 7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene.
What is the SMILES notation for 7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
The canonical SMILES for 7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4nc5c6c(cccc6n4)Oc4cc6cc(-c7ccc8c9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10nc%11c%12c(cccc%12n%10)Oc%10ccc%12c(-c%13ccc%14c%15ccc(-c%16ccc%17c%18ccccc%18n(-c%18nc%19c%20c(cccc%20n%18)Oc%18c-%19ccc%19ccccc%18%19)c%17c%16)cc%15n(-c%15ccccc%15)c%14c%13)cccc%12c%10-%11)cc9n(-c9ccccc9)c8c7)ccc6cc4-5)cc32)cc1.
What is the InChIKey of 7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
The InChIKey is WQZZCVWVIBFLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H80N12O3/c1-4-25-93(26-5-1)151-117-41-16-12-32-99(117)103-59-52-87(75-123(103)151)83-57-67-121-111(71-83)101-34-14-18-43-119(101)154(121)142-145-114-38-21-45-129-135(114)139(149-142)113-73-85-49-48-82(70-92(85)80-133(113)158-129)86-51-61-105-106-62-53-88(76-125(106)152(124(105)74-86)94-27-6-2-7-28-94)84-58-68-122-112(72-84)102-35-15-19-44-120(102)155(122)144-147-116-40-22-46-130-137(116)140(150-144)134-109-37-20-36-96(98(109)66-69-132(134)157-130)91-56-64-108-107-63-55-89(77-126(107)153(127(108)79-91)95-29-8-3-9-30-95)90-54-60-104-100-33-13-17-42-118(100)156(128(104)78-90)143-146-115-39-23-47-131-136(115)138(148-143)110-65-50-81-24-10-11-31-97(81)141(110)159-131/h1-80H.
What are the key properties of 7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene?
7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene has a molecular weight of 2026.30 g/mol, XLogP of 37.21, 11 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[9-(12-oxa-18,20-diazapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-19-yl)carbazol-2-yl]-9-phenylcarbazol-2-yl]-19-[3-[9-phenyl-7-[19-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-7-yl]carbazol-2-yl]carbazol-9-yl]-12-oxa-18,20-diazapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3(8),4,6,9,13,15,17(21),18-decaene is sourced from PubChem (CID 138527703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).