10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine

C48H36N2O3 — CID 170992137

IUPAC10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine
SMILESC=Cc1ccc(-c2ccc3c(c2)Oc2cc(-c4ccc(C=C)cc4)ccc2N3c2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2)cc1
InChIInChI=1S/C48H36N2O3/c1-5-31-7-11-33(12-8-31)35-15-23-45-47(27-35)53-48-28-36(34-13-9-32(6-2)10-14-34)16-24-46(48)50(45)38-19-17-37(18-20-38)49-43-25-21-39(51-3)29-41(43)42-30-40(52-4)22-26-44(42)49/h5-30H,1-2H2,3-4H3
InChIKeyGTCUDCWFQOUMMM-UHFFFAOYSA-N
MW688.83 g/mol
LogP13.00
Rot. Bonds8

About 10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine

10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine (PubChem CID 170992137) has the molecular formula C48H36N2O3 and a molecular weight of 688.83 g/mol. Its IUPAC name is 10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine.

Molecular Properties

Compound Name10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine
PubChem CID170992137
Molecular FormulaC48H36N2O3
Molecular Weight688.83 g/mol
Exact Mass688.27
IUPAC Name10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine
SMILESC=Cc1ccc(-c2ccc3c(c2)Oc2cc(-c4ccc(C=C)cc4)ccc2N3c2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2)cc1
InChIInChI=1S/C48H36N2O3/c1-5-31-7-11-33(12-8-31)35-15-23-45-47(27-35)53-48-28-36(34-13-9-32(6-2)10-14-34)16-24-46(48)50(45)38-19-17-37(18-20-38)49-43-25-21-39(51-3)29-41(43)42-30-40(52-4)22-26-44(42)49/h5-30H,1-2H2,3-4H3
InChIKeyGTCUDCWFQOUMMM-UHFFFAOYSA-N
XLogP13.00
TPSA35.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine?
The IUPAC name of 10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine (CID 170992137) is 10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine.
What is the SMILES notation for 10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine?
The canonical SMILES for 10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine is C=Cc1ccc(-c2ccc3c(c2)Oc2cc(-c4ccc(C=C)cc4)ccc2N3c2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2)cc1.
What is the InChIKey of 10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine?
The InChIKey is GTCUDCWFQOUMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2O3/c1-5-31-7-11-33(12-8-31)35-15-23-45-47(27-35)53-48-28-36(34-13-9-32(6-2)10-14-34)16-24-46(48)50(45)38-19-17-37(18-20-38)49-43-25-21-39(51-3)29-41(43)42-30-40(52-4)22-26-44(42)49/h5-30H,1-2H2,3-4H3.
What are the key properties of 10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine?
10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine has a molecular weight of 688.83 g/mol, XLogP of 13.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-3,7-bis(4-ethenylphenyl)phenoxazine is sourced from PubChem (CID 170992137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).