10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine

C49H35NS — CID 173485421

IUPAC10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine
SMILESC=C1C=C(c2ccccc2)/C(c2ccc3c(c2)c(-c2ccccc2)cc2cc(N4c5ccccc5Sc5ccccc54)ccc23)=C\C/C=C\C=C/1
InChIInChI=1S/C49H35NS/c1-34-16-6-2-3-11-21-40(43(30-34)35-17-7-4-8-18-35)37-26-28-42-41-29-27-39(31-38(41)33-44(45(42)32-37)36-19-9-5-10-20-36)50-46-22-12-14-24-48(46)51-49-25-15-13-23-47(49)50/h2-10,12-33H,1,11H2/b3-2-,16-6-,40-21-,43-30?
InChIKeyQZKZWZDUVQCZEV-IQXNGRFOSA-N
MW669.89 g/mol
LogP14.13
Rot. Bonds4

About 10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine

10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine (PubChem CID 173485421) has the molecular formula C49H35NS and a molecular weight of 669.89 g/mol. Its IUPAC name is 10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine.

Molecular Properties

Compound Name10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine
PubChem CID173485421
Molecular FormulaC49H35NS
Molecular Weight669.89 g/mol
Exact Mass669.25
IUPAC Name10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine
SMILESC=C1C=C(c2ccccc2)/C(c2ccc3c(c2)c(-c2ccccc2)cc2cc(N4c5ccccc5Sc5ccccc54)ccc23)=C\C/C=C\C=C/1
InChIInChI=1S/C49H35NS/c1-34-16-6-2-3-11-21-40(43(30-34)35-17-7-4-8-18-35)37-26-28-42-41-29-27-39(31-38(41)33-44(45(42)32-37)36-19-9-5-10-20-36)50-46-22-12-14-24-48(46)51-49-25-15-13-23-47(49)50/h2-10,12-33H,1,11H2/b3-2-,16-6-,40-21-,43-30?
InChIKeyQZKZWZDUVQCZEV-IQXNGRFOSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.89
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenanthren-9-ylphenyl)-(4-phenothiazin-10-ylphenyl)methanone
CID 141434054
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
10-(9,9-diphenyl-7-triphenylen-2-ylfluoren-2-yl)phenothiazine
CID 89368090
10-[3-[3-(10,11-dihydrotriphenylen-2-yl)phenyl]phenyl]phenothiazine
CID 170402986
10-naphthalen-2-yl-3-(4-phenanthren-9-ylquinazolin-2-yl)phenothiazine
CID 159789134
10-(2,4-diphenylquinazolin-7-yl)phenothiazine
CID 130396277
9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine
CID 155791240
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
10-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)phenothiazine
CID 134476041
10-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]phenothiazine
CID 134476408
3-(4-dibenzofuran-2-ylquinolin-2-yl)-10-(4-phenylphenyl)phenothiazine
CID 147850677

Frequently Asked Questions

What is the IUPAC name of 10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine?
The IUPAC name of 10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine (CID 173485421) is 10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine.
What is the SMILES notation for 10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine?
The canonical SMILES for 10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine is C=C1C=C(c2ccccc2)/C(c2ccc3c(c2)c(-c2ccccc2)cc2cc(N4c5ccccc5Sc5ccccc54)ccc23)=C\C/C=C\C=C/1.
What is the InChIKey of 10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine?
The InChIKey is QZKZWZDUVQCZEV-IQXNGRFOSA-N. The full InChI is InChI=1S/C49H35NS/c1-34-16-6-2-3-11-21-40(43(30-34)35-17-7-4-8-18-35)37-26-28-42-41-29-27-39(31-38(41)33-44(45(42)32-37)36-19-9-5-10-20-36)50-46-22-12-14-24-48(46)51-49-25-15-13-23-47(49)50/h2-10,12-33H,1,11H2/b3-2-,16-6-,40-21-,43-30?.
What are the key properties of 10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine?
10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine has a molecular weight of 669.89 g/mol, XLogP of 14.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-[(1Z,4Z,6Z)-8-methylidene-10-phenylcyclodeca-1,4,6,9-tetraen-1-yl]-9-phenylphenanthren-2-yl]phenothiazine is sourced from PubChem (CID 173485421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).