15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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

C100H56N8O2 — CID 129297957

IUPAC15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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(-n2c3ccc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4nc5c6c(cccc6n4)Oc4ccccc4-5)cc3c3ccc(-c4ccc5cc6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9ccccc9c8)ccc7n(-c7nc8c9c(cccc9n7)Oc7ccccc7-8)c6cc5c4)cc32)cc1
InChIInChI=1S/C100H56N8O2/c1-2-20-69(21-3-1)105-84-42-36-63(65-38-44-86-77(51-65)79-48-59-18-6-7-19-60(59)54-89(79)107(86)99-101-81-25-14-30-93-95(81)97(103-99)73-23-9-12-28-91(73)109-93)50-76(84)72-41-35-67(55-88(72)105)61-32-33-66-53-80-78-52-64(62-37-43-85-75(49-62)71-22-8-11-27-83(71)106(85)70-40-34-57-16-4-5-17-58(57)47-70)39-45-87(78)108(90(80)56-68(66)46-61)100-102-82-26-15-31-94-96(82)98(104-100)74-24-10-13-29-92(74)110-94/h1-56H
InChIKeyXPIMGFUDGUPBEC-UHFFFAOYSA-N
MW1401.60 g/mol
LogP25.97
Rot. Bonds7

About 15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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

15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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 129297957) has the molecular formula C100H56N8O2 and a molecular weight of 1401.60 g/mol. Its IUPAC name is 15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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 Name15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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 CID129297957
Molecular FormulaC100H56N8O2
Molecular Weight1401.60 g/mol
Exact Mass1400.45
IUPAC Name15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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(-n2c3ccc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4nc5c6c(cccc6n4)Oc4ccccc4-5)cc3c3ccc(-c4ccc5cc6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9ccccc9c8)ccc7n(-c7nc8c9c(cccc9n7)Oc7ccccc7-8)c6cc5c4)cc32)cc1
InChIInChI=1S/C100H56N8O2/c1-2-20-69(21-3-1)105-84-42-36-63(65-38-44-86-77(51-65)79-48-59-18-6-7-19-60(59)54-89(79)107(86)99-101-81-25-14-30-93-95(81)97(103-99)73-23-9-12-28-91(73)109-93)50-76(84)72-41-35-67(55-88(72)105)61-32-33-66-53-80-78-52-64(62-37-43-85-75(49-62)71-22-8-11-27-83(71)106(85)70-40-34-57-16-4-5-17-58(57)47-70)39-45-87(78)108(90(80)56-68(66)46-61)100-102-82-26-15-31-94-96(82)98(104-100)74-24-10-13-29-92(74)110-94/h1-56H
InChIKeyXPIMGFUDGUPBEC-UHFFFAOYSA-N
XLogP25.97
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001401.60
LogP ≤ 525.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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 15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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 15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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 129297957) is 15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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 15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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 15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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(-n2c3ccc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4nc5c6c(cccc6n4)Oc4ccccc4-5)cc3c3ccc(-c4ccc5cc6c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccc9ccccc9c8)ccc7n(-c7nc8c9c(cccc9n7)Oc7ccccc7-8)c6cc5c4)cc32)cc1.
What is the InChIKey of 15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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 XPIMGFUDGUPBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H56N8O2/c1-2-20-69(21-3-1)105-84-42-36-63(65-38-44-86-77(51-65)79-48-59-18-6-7-19-60(59)54-89(79)107(86)99-101-81-25-14-30-93-95(81)97(103-99)73-23-9-12-28-91(73)109-93)50-76(84)72-41-35-67(55-88(72)105)61-32-33-66-53-80-78-52-64(62-37-43-85-75(49-62)71-22-8-11-27-83(71)106(85)70-40-34-57-16-4-5-17-58(57)47-70)39-45-87(78)108(90(80)56-68(66)46-61)100-102-82-26-15-31-94-96(82)98(104-100)74-24-10-13-29-92(74)110-94/h1-56H.
What are the key properties of 15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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?
15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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 1401.60 g/mol, XLogP of 25.97, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[2-[7-[2-(9-naphthalen-2-ylcarbazol-3-yl)-5-(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)benzo[b]carbazol-8-yl]-9-phenylcarbazol-3-yl]benzo[b]carbazol-5-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 129297957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).