10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine

C86H58N10O2 — CID 129089087

IUPAC10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc(N(c4ccccc4)c4ccccc4)ccc2N3c2ccc3c4nccnc4c4ccc(N5c6ccc(N(c7ccccc7)c7ccccc7)cc6Oc6cc(N(c7ccccc7)c7ccccc7)ccc65)nc4c3n2)cc1
InChIInChI=1S/C86H58N10O2/c1-9-25-59(26-10-1)91(60-27-11-2-12-28-60)67-41-47-73-77(55-67)97-78-56-68(92(61-29-13-3-14-30-61)62-31-15-4-16-32-62)42-48-74(78)95(73)81-51-45-71-83-84(88-54-53-87-83)72-46-52-82(90-86(72)85(71)89-81)96-75-49-43-69(93(63-33-17-5-18-34-63)64-35-19-6-20-36-64)57-79(75)98-80-58-70(44-50-76(80)96)94(65-37-21-7-22-38-65)66-39-23-8-24-40-66/h1-58H
InChIKeyYNXJJMFLRGICGB-UHFFFAOYSA-N
MW1263.48 g/mol
LogP23.76
Rot. Bonds14

About 10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine

10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine (PubChem CID 129089087) has the molecular formula C86H58N10O2 and a molecular weight of 1263.48 g/mol. Its IUPAC name is 10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine.

Molecular Properties

Compound Name10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine
PubChem CID129089087
Molecular FormulaC86H58N10O2
Molecular Weight1263.48 g/mol
Exact Mass1262.47
IUPAC Name10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc(N(c4ccccc4)c4ccccc4)ccc2N3c2ccc3c4nccnc4c4ccc(N5c6ccc(N(c7ccccc7)c7ccccc7)cc6Oc6cc(N(c7ccccc7)c7ccccc7)ccc65)nc4c3n2)cc1
InChIInChI=1S/C86H58N10O2/c1-9-25-59(26-10-1)91(60-27-11-2-12-28-60)67-41-47-73-77(55-67)97-78-56-68(92(61-29-13-3-14-30-61)62-31-15-4-16-32-62)42-48-74(78)95(73)81-51-45-71-83-84(88-54-53-87-83)72-46-52-82(90-86(72)85(71)89-81)96-75-49-43-69(93(63-33-17-5-18-34-63)64-35-19-6-20-36-64)57-79(75)98-80-58-70(44-50-76(80)96)94(65-37-21-7-22-38-65)66-39-23-8-24-40-66/h1-58H
InChIKeyYNXJJMFLRGICGB-UHFFFAOYSA-N
XLogP23.76
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001263.48
LogP ≤ 523.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine?
The IUPAC name of 10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine (CID 129089087) is 10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine.
What is the SMILES notation for 10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine?
The canonical SMILES for 10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)Oc2cc(N(c4ccccc4)c4ccccc4)ccc2N3c2ccc3c4nccnc4c4ccc(N5c6ccc(N(c7ccccc7)c7ccccc7)cc6Oc6cc(N(c7ccccc7)c7ccccc7)ccc65)nc4c3n2)cc1.
What is the InChIKey of 10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine?
The InChIKey is YNXJJMFLRGICGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H58N10O2/c1-9-25-59(26-10-1)91(60-27-11-2-12-28-60)67-41-47-73-77(55-67)97-78-56-68(92(61-29-13-3-14-30-61)62-31-15-4-16-32-62)42-48-74(78)95(73)81-51-45-71-83-84(88-54-53-87-83)72-46-52-82(90-86(72)85(71)89-81)96-75-49-43-69(93(63-33-17-5-18-34-63)64-35-19-6-20-36-64)57-79(75)98-80-58-70(44-50-76(80)96)94(65-37-21-7-22-38-65)66-39-23-8-24-40-66/h1-58H.
What are the key properties of 10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine?
10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine has a molecular weight of 1263.48 g/mol, XLogP of 23.76, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-[3,7-bis(N-phenylanilino)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]-3-N,3-N,7-N,7-N-tetraphenylphenoxazine-3,7-diamine is sourced from PubChem (CID 129089087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).