10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]

C55H35N3S — CID 163916715

IUPAC10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4c3ccc3c4N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc4S3)c3ccccc32)cc1
InChIInChI=1S/C55H35N3S/c1-3-17-36(18-4-1)56-46-26-12-8-21-39(46)40-32-31-38(35-50(40)56)58-49-29-15-16-30-51(49)59-52-34-33-45-53(54(52)58)41-22-7-9-23-42(41)55(45)43-24-10-13-27-47(43)57(37-19-5-2-6-20-37)48-28-14-11-25-44(48)55/h1-35H
InChIKeyQWWQACFORHDBTM-UHFFFAOYSA-N
MW769.97 g/mol
LogP14.86
Rot. Bonds3

About 10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]

10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine] (PubChem CID 163916715) has the molecular formula C55H35N3S and a molecular weight of 769.97 g/mol. Its IUPAC name is 10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine].

Molecular Properties

Compound Name10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]
PubChem CID163916715
Molecular FormulaC55H35N3S
Molecular Weight769.97 g/mol
Exact Mass769.26
IUPAC Name10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4-c4c3ccc3c4N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc4S3)c3ccccc32)cc1
InChIInChI=1S/C55H35N3S/c1-3-17-36(18-4-1)56-46-26-12-8-21-39(46)40-32-31-38(35-50(40)56)58-49-29-15-16-30-51(49)59-52-34-33-45-53(54(52)58)41-22-7-9-23-42(41)55(45)43-24-10-13-27-47(43)57(37-19-5-2-6-20-37)48-28-14-11-25-44(48)55/h1-35H
InChIKeyQWWQACFORHDBTM-UHFFFAOYSA-N
XLogP14.86
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.97
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-thioxanthene]
CID 177278342
1-[4-(10'-phenylspiro[14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]-10-yl)phenyl]ethanamine
CID 145314004
2-carbazol-9-yl-8,8-dimethyl-13-phenylindeno[1,2-a]phenothiazine;8,8-dimethyl-2,13-diphenylindeno[1,2-a]phenothiazine;8,8-dimethyl-13-phenylindeno[1,2-a]phenothiazine;8,8-dimethyl-13-phenyl-2-pyridin-2-ylindeno[1,2-a]phenothiazine
CID 158129535
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
10-phenyl-3'-(9-phenylcarbazol-2-yl)-5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 153224438
5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 118880676
N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240907
10-phenyl-14-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
CID 177278031
9-(9,9-dimethylfluoren-1-yl)-9-phenyl-10-(9-phenylcarbazol-2-yl)acridine
CID 153463100
10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine
CID 140915422
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-10-phenylphenothiazine
CID 134475698

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]?
The IUPAC name of 10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine] (CID 163916715) is 10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine].
What is the SMILES notation for 10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]?
The canonical SMILES for 10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine] is c1ccc(N2c3ccccc3C3(c4ccccc4-c4c3ccc3c4N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc4S3)c3ccccc32)cc1.
What is the InChIKey of 10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]?
The InChIKey is QWWQACFORHDBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3S/c1-3-17-36(18-4-1)56-46-26-12-8-21-39(46)40-32-31-38(35-50(40)56)58-49-29-15-16-30-51(49)59-52-34-33-45-53(54(52)58)41-22-7-9-23-42(41)55(45)43-24-10-13-27-47(43)57(37-19-5-2-6-20-37)48-28-14-11-25-44(48)55/h1-35H.
What are the key properties of 10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine]?
10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine] has a molecular weight of 769.97 g/mol, XLogP of 14.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-13'-(9-phenylcarbazol-2-yl)spiro[acridine-9,8'-indeno[1,2-a]phenothiazine] is sourced from PubChem (CID 163916715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).