10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine

C53H36N4O — CID 71056651

IUPAC10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine
SMILESC1=Cc2c(n(-c3cc(-c4cncc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)c4)cc(-n4c5ccccc5c5ccccc54)c3)c3ccccc23)CC1
InChIInChI=1S/C53H36N4O/c1-5-17-46-42(13-1)43-14-2-6-18-47(43)56(46)40-30-36(31-41(32-40)57-48-19-7-3-15-44(48)45-16-4-8-20-49(45)57)38-29-37(33-54-34-38)35-25-27-39(28-26-35)55-50-21-9-11-23-52(50)58-53-24-12-10-22-51(53)55/h1-7,9-19,21-34H,8,20H2
InChIKeyBHSVQKGVDVBTSJ-UHFFFAOYSA-N
MW744.90 g/mol
LogP13.99
Rot. Bonds5

About 10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine

10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine (PubChem CID 71056651) has the molecular formula C53H36N4O and a molecular weight of 744.90 g/mol. Its IUPAC name is 10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine
PubChem CID71056651
Molecular FormulaC53H36N4O
Molecular Weight744.90 g/mol
Exact Mass744.29
IUPAC Name10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine
SMILESC1=Cc2c(n(-c3cc(-c4cncc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)c4)cc(-n4c5ccccc5c5ccccc54)c3)c3ccccc23)CC1
InChIInChI=1S/C53H36N4O/c1-5-17-46-42(13-1)43-14-2-6-18-47(43)56(46)40-30-36(31-41(32-40)57-48-19-7-3-15-44(48)45-16-4-8-20-49(45)57)38-29-37(33-54-34-38)35-25-27-39(28-26-35)55-50-21-9-11-23-52(50)58-53-24-12-10-22-51(53)55/h1-7,9-19,21-34H,8,20H2
InChIKeyBHSVQKGVDVBTSJ-UHFFFAOYSA-N
XLogP13.99
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.90
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine (CID 71056651) is 10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine is C1=Cc2c(n(-c3cc(-c4cncc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)c4)cc(-n4c5ccccc5c5ccccc54)c3)c3ccccc23)CC1.
What is the InChIKey of 10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine?
The InChIKey is BHSVQKGVDVBTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N4O/c1-5-17-46-42(13-1)43-14-2-6-18-47(43)56(46)40-30-36(31-41(32-40)57-48-19-7-3-15-44(48)45-16-4-8-20-49(45)57)38-29-37(33-54-34-38)35-25-27-39(28-26-35)55-50-21-9-11-23-52(50)58-53-24-12-10-22-51(53)55/h1-7,9-19,21-34H,8,20H2.
What are the key properties of 10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine?
10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine has a molecular weight of 744.90 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[5-[3-carbazol-9-yl-5-(1,2-dihydrocarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]phenoxazine is sourced from PubChem (CID 71056651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).