10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine

C51H32N2S — CID 163524546

IUPAC10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine
SMILESC1=CC2=C(CC1)N(c1ccccc1)c1ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4cccc5ccc6cccc3c6c45)cc1S2
InChIInChI=1S/C51H32N2S/c1-2-14-33(15-3-1)52-44-22-8-9-23-47(44)54-48-28-34(26-27-45(48)52)53-43-21-7-5-17-36(43)38-29-42-37(30-46(38)53)35-16-4-6-18-39(35)51(42)40-19-10-12-31-24-25-32-13-11-20-41(51)50(32)49(31)40/h1-7,9-21,23-30H,8,22H2
InChIKeyDNQFVDHAKMHWPY-UHFFFAOYSA-N
MW704.90 g/mol
LogP13.57
Rot. Bonds2

About 10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine

10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine (PubChem CID 163524546) has the molecular formula C51H32N2S and a molecular weight of 704.90 g/mol. Its IUPAC name is 10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine.

Molecular Properties

Compound Name10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine
PubChem CID163524546
Molecular FormulaC51H32N2S
Molecular Weight704.90 g/mol
Exact Mass704.23
IUPAC Name10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine
SMILESC1=CC2=C(CC1)N(c1ccccc1)c1ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4cccc5ccc6cccc3c6c45)cc1S2
InChIInChI=1S/C51H32N2S/c1-2-14-33(15-3-1)52-44-22-8-9-23-47(44)54-48-28-34(26-27-45(48)52)53-43-21-7-5-17-36(43)38-29-42-37(30-46(38)53)35-16-4-6-18-39(35)51(42)40-19-10-12-31-24-25-32-13-11-20-41(51)50(32)49(31)40/h1-7,9-21,23-30H,8,22H2
InChIKeyDNQFVDHAKMHWPY-UHFFFAOYSA-N
XLogP13.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.90
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-phenyl-7-[7-[3-(6-phenylpyrimidin-4-yl)phenyl]benzo[g]carbazol-8-yl]-1,2-dihydrophenothiazine
CID 134432072
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
6-(4-benzo[b]carbazol-5-ylphenyl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
CID 167126460
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
CID 134551673
CID 134551673
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 118880676
CID 134551753
CID 134551753
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine
CID 134475698
9-phenyl-3-(3'-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-3-yl)carbazole
CID 138623650

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine?
The IUPAC name of 10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine (CID 163524546) is 10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine.
What is the SMILES notation for 10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine?
The canonical SMILES for 10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine is C1=CC2=C(CC1)N(c1ccccc1)c1ccc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4cccc5ccc6cccc3c6c45)cc1S2.
What is the InChIKey of 10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine?
The InChIKey is DNQFVDHAKMHWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2S/c1-2-14-33(15-3-1)52-44-22-8-9-23-47(44)54-48-28-34(26-27-45(48)52)53-43-21-7-5-17-36(43)38-29-42-37(30-46(38)53)35-16-4-6-18-39(35)51(42)40-19-10-12-31-24-25-32-13-11-20-41(51)50(32)49(31)40/h1-7,9-21,23-30H,8,22H2.
What are the key properties of 10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine?
10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine has a molecular weight of 704.90 g/mol, XLogP of 13.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-7-spiro[indeno[1,2-b]carbazole-11,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-5-yl-1,2-dihydrophenothiazine is sourced from PubChem (CID 163524546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).