10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine

C76H46N4O2 — CID 88570234

IUPAC10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3c(N5c6ccccc6Oc6ccccc65)cccc3n4-c3ccc4cc5ccccc5cc4c3)ccc1n2-c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C76H46N4O2/c1-3-16-49-40-55-42-57(32-28-51(55)38-47(49)14-1)77-63-35-30-53(44-60(63)61-46-59(34-37-64(61)77)79-66-18-5-9-24-72(66)81-73-25-10-6-19-67(73)79)54-31-36-65-62(45-54)76-70(78(65)58-33-29-52-39-48-15-2-4-17-50(48)41-56(52)43-58)22-13-23-71(76)80-68-20-7-11-26-74(68)82-75-27-12-8-21-69(75)80/h1-46H
InChIKeyUPUACOPUJKINJJ-UHFFFAOYSA-N
MW1047.23 g/mol
LogP21.31
Rot. Bonds5

About 10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine

10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine (PubChem CID 88570234) has the molecular formula C76H46N4O2 and a molecular weight of 1047.23 g/mol. Its IUPAC name is 10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine.

Molecular Properties

Compound Name10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine
PubChem CID88570234
Molecular FormulaC76H46N4O2
Molecular Weight1047.23 g/mol
Exact Mass1046.36
IUPAC Name10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3c(N5c6ccccc6Oc6ccccc65)cccc3n4-c3ccc4cc5ccccc5cc4c3)ccc1n2-c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C76H46N4O2/c1-3-16-49-40-55-42-57(32-28-51(55)38-47(49)14-1)77-63-35-30-53(44-60(63)61-46-59(34-37-64(61)77)79-66-18-5-9-24-72(66)81-73-25-10-6-19-67(73)79)54-31-36-65-62(45-54)76-70(78(65)58-33-29-52-39-48-15-2-4-17-50(48)41-56(52)43-58)22-13-23-71(76)80-68-20-7-11-26-74(68)82-75-27-12-8-21-69(75)80/h1-46H
InChIKeyUPUACOPUJKINJJ-UHFFFAOYSA-N
XLogP21.31
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.23
LogP ≤ 521.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine?
The IUPAC name of 10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine (CID 88570234) is 10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine.
What is the SMILES notation for 10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine?
The canonical SMILES for 10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3c(N5c6ccccc6Oc6ccccc65)cccc3n4-c3ccc4cc5ccccc5cc4c3)ccc1n2-c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine?
The InChIKey is UPUACOPUJKINJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N4O2/c1-3-16-49-40-55-42-57(32-28-51(55)38-47(49)14-1)77-63-35-30-53(44-60(63)61-46-59(34-37-64(61)77)79-66-18-5-9-24-72(66)81-73-25-10-6-19-67(73)79)54-31-36-65-62(45-54)76-70(78(65)58-33-29-52-39-48-15-2-4-17-50(48)41-56(52)43-58)22-13-23-71(76)80-68-20-7-11-26-74(68)82-75-27-12-8-21-69(75)80/h1-46H.
What are the key properties of 10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine?
10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine has a molecular weight of 1047.23 g/mol, XLogP of 21.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9-anthracen-2-yl-6-(9-anthracen-2-yl-5-phenoxazin-10-ylcarbazol-3-yl)carbazol-3-yl]phenoxazine is sourced from PubChem (CID 88570234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).