5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

C108H60N12O3 — CID 129297299

IUPAC5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2nc3c4c(cccc4n2)Oc2cc(-c4ccc5c(c4)c4cc6ccn(-c7nc8c9c(cccc9n7)Oc7cc(-c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10c%10c9ccn%10-c9ccc(-c%10nc%11c%12c(cccc%12n%10)Oc%10ccccc%10-%11)cc9)ccc7-8)c6cc4n5-c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C108H60N12O3/c1-4-19-67(20-5-1)115-50-47-66-55-90-80(59-88(66)115)71-25-10-14-32-86(71)120(90)108-111-84-30-18-36-95-100(84)103(114-108)75-44-39-63(56-96(75)122-95)62-41-46-87-78(53-62)79-54-65-48-51-117(89(65)60-91(79)118(87)69-21-6-2-7-22-69)107-110-83-29-17-35-94-99(83)102(113-107)76-45-40-64(57-97(76)123-94)77-58-81-72-26-11-13-31-85(72)119(70-23-8-3-9-24-70)105(81)104-73(77)49-52-116(104)68-42-37-61(38-43-68)106-109-82-28-16-34-93-98(82)101(112-106)74-27-12-15-33-92(74)121-93/h1-60H
InChIKeyOOLNPYNADRPWQP-UHFFFAOYSA-N
MW1573.75 g/mol
LogP26.96
Rot. Bonds9

About 5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene

5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (PubChem CID 129297299) has the molecular formula C108H60N12O3 and a molecular weight of 1573.75 g/mol. Its IUPAC name is 5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.

Molecular Properties

Compound Name5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
PubChem CID129297299
Molecular FormulaC108H60N12O3
Molecular Weight1573.75 g/mol
Exact Mass1572.49
IUPAC Name5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
SMILESc1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2nc3c4c(cccc4n2)Oc2cc(-c4ccc5c(c4)c4cc6ccn(-c7nc8c9c(cccc9n7)Oc7cc(-c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10c%10c9ccn%10-c9ccc(-c%10nc%11c%12c(cccc%12n%10)Oc%10ccccc%10-%11)cc9)ccc7-8)c6cc4n5-c4ccccc4)ccc2-3)cc1
InChIInChI=1S/C108H60N12O3/c1-4-19-67(20-5-1)115-50-47-66-55-90-80(59-88(66)115)71-25-10-14-32-86(71)120(90)108-111-84-30-18-36-95-100(84)103(114-108)75-44-39-63(56-96(75)122-95)62-41-46-87-78(53-62)79-54-65-48-51-117(89(65)60-91(79)118(87)69-21-6-2-7-22-69)107-110-83-29-17-35-94-99(83)102(113-107)76-45-40-64(57-97(76)123-94)77-58-81-72-26-11-13-31-85(72)119(70-23-8-3-9-24-70)105(81)104-73(77)49-52-116(104)68-42-37-61(38-43-68)106-109-82-28-16-34-93-98(82)101(112-106)74-27-12-15-33-92(74)121-93/h1-60H
InChIKeyOOLNPYNADRPWQP-UHFFFAOYSA-N
XLogP26.96
TPSA134.61 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.75
LogP ≤ 526.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The IUPAC name of 5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene (CID 129297299) is 5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene.
What is the SMILES notation for 5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The canonical SMILES for 5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2nc3c4c(cccc4n2)Oc2cc(-c4ccc5c(c4)c4cc6ccn(-c7nc8c9c(cccc9n7)Oc7cc(-c9cc%10c%11ccccc%11n(-c%11ccccc%11)c%10c%10c9ccn%10-c9ccc(-c%10nc%11c%12c(cccc%12n%10)Oc%10ccccc%10-%11)cc9)ccc7-8)c6cc4n5-c4ccccc4)ccc2-3)cc1.
What is the InChIKey of 5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
The InChIKey is OOLNPYNADRPWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H60N12O3/c1-4-19-67(20-5-1)115-50-47-66-55-90-80(59-88(66)115)71-25-10-14-32-86(71)120(90)108-111-84-30-18-36-95-100(84)103(114-108)75-44-39-63(56-96(75)122-95)62-41-46-87-78(53-62)79-54-65-48-51-117(89(65)60-91(79)118(87)69-21-6-2-7-22-69)107-110-83-29-17-35-94-99(83)102(113-107)76-45-40-64(57-97(76)123-94)77-58-81-72-26-11-13-31-85(72)119(70-23-8-3-9-24-70)105(81)104-73(77)49-52-116(104)68-42-37-61(38-43-68)106-109-82-28-16-34-93-98(82)101(112-106)74-27-12-15-33-92(74)121-93/h1-60H.
What are the key properties of 5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene?
5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene has a molecular weight of 1573.75 g/mol, XLogP of 26.96, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)phenyl]-10-phenylpyrrolo[2,3-a]carbazol-4-yl]-15-[9-phenyl-6-[15-(3-phenylpyrrolo[3,2-b]carbazol-9-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl]pyrrolo[2,3-b]carbazol-1-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene is sourced from PubChem (CID 129297299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).