11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C96H54N8O2 — CID 129297942

IUPAC11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4ccc4c6ccccc6n(-c6nc7c8c(cc(-c9cccc%10c9Oc9cccc%11nc(-n%12c%13ccccc%13c%13cc(-c%14cccc%15c%14ccc%14c%16ccccc%16n(-c%16ccccc%16)c%15%14)ccc%13%12)nc-%10c9%11)cc8n6)Oc6ccccc6-7)c54)ccc32)cc1
InChIInChI=1S/C96H54N8O2/c1-3-21-58(22-4-1)101-79-37-12-9-27-67(79)75-51-55(43-49-83(75)101)61-31-18-34-70-64(61)46-48-72-66-26-8-15-40-82(66)104(93(70)72)96-98-78-53-57(54-87-89(78)90(99-96)73-29-11-16-41-85(73)105-87)62-32-19-35-74-91-88-77(36-20-42-86(88)106-94(62)74)97-95(100-91)103-81-39-14-10-28-68(81)76-52-56(44-50-84(76)103)60-30-17-33-69-63(60)45-47-71-65-25-7-13-38-80(65)102(92(69)71)59-23-5-2-6-24-59/h1-54H
InChIKeyWWICPNFQPLVUOV-UHFFFAOYSA-N
MW1351.54 g/mol
LogP24.81
Rot. Bonds7

About 11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 129297942) has the molecular formula C96H54N8O2 and a molecular weight of 1351.54 g/mol. Its IUPAC name is 11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

Compound Name11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
PubChem CID129297942
Molecular FormulaC96H54N8O2
Molecular Weight1351.54 g/mol
Exact Mass1350.44
IUPAC Name11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4ccc4c6ccccc6n(-c6nc7c8c(cc(-c9cccc%10c9Oc9cccc%11nc(-n%12c%13ccccc%13c%13cc(-c%14cccc%15c%14ccc%14c%16ccccc%16n(-c%16ccccc%16)c%15%14)ccc%13%12)nc-%10c9%11)cc8n6)Oc6ccccc6-7)c54)ccc32)cc1
InChIInChI=1S/C96H54N8O2/c1-3-21-58(22-4-1)101-79-37-12-9-27-67(79)75-51-55(43-49-83(75)101)61-31-18-34-70-64(61)46-48-72-66-26-8-15-40-82(66)104(93(70)72)96-98-78-53-57(54-87-89(78)90(99-96)73-29-11-16-41-85(73)105-87)62-32-19-35-74-91-88-77(36-20-42-86(88)106-94(62)74)97-95(100-91)103-81-39-14-10-28-68(81)76-52-56(44-50-84(76)103)60-30-17-33-69-63(60)45-47-71-65-25-7-13-38-80(65)102(92(69)71)59-23-5-2-6-24-59/h1-54H
InChIKeyWWICPNFQPLVUOV-UHFFFAOYSA-N
XLogP24.81
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.54
LogP ≤ 524.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The IUPAC name of 11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 129297942) is 11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.
What is the SMILES notation for 11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The canonical SMILES for 11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4ccc4c6ccccc6n(-c6nc7c8c(cc(-c9cccc%10c9Oc9cccc%11nc(-n%12c%13ccccc%13c%13cc(-c%14cccc%15c%14ccc%14c%16ccccc%16n(-c%16ccccc%16)c%15%14)ccc%13%12)nc-%10c9%11)cc8n6)Oc6ccccc6-7)c54)ccc32)cc1.
What is the InChIKey of 11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
The InChIKey is WWICPNFQPLVUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54N8O2/c1-3-21-58(22-4-1)101-79-37-12-9-27-67(79)75-51-55(43-49-83(75)101)61-31-18-34-70-64(61)46-48-72-66-26-8-15-40-82(66)104(93(70)72)96-98-78-53-57(54-87-89(78)90(99-96)73-29-11-16-41-85(73)105-87)62-32-19-35-74-91-88-77(36-20-42-86(88)106-94(62)74)97-95(100-91)103-81-39-14-10-28-68(81)76-52-56(44-50-84(76)103)60-30-17-33-69-63(60)45-47-71-65-25-7-13-38-80(65)102(92(69)71)59-23-5-2-6-24-59/h1-54H.
What are the key properties of 11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?
11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 1351.54 g/mol, XLogP of 24.81, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[15-[3-(11-phenylbenzo[a]carbazol-4-yl)carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]-15-[4-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 129297942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).