1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine

C66H48N6 — CID 140917933

IUPAC1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc43)c3nc4ccccc4nc23)c2ccccc21
InChIInChI=1S/C66H48N6/c1-65(2)47-21-7-15-29-57(47)69(58-30-16-8-22-48(58)65)41-33-35-55-45(39-41)43-19-5-13-27-53(43)71(55)61-37-38-62(64-63(61)67-51-25-11-12-26-52(51)68-64)72-54-28-14-6-20-44(54)46-40-42(34-36-56(46)72)70-59-31-17-9-23-49(59)66(3,4)50-24-10-18-32-60(50)70/h5-40H,1-4H3
InChIKeyIPYSIWWDDPBXAS-UHFFFAOYSA-N
MW925.15 g/mol
LogP17.20
Rot. Bonds4

About 1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine

1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine (PubChem CID 140917933) has the molecular formula C66H48N6 and a molecular weight of 925.15 g/mol. Its IUPAC name is 1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine.

Molecular Properties

Compound Name1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
PubChem CID140917933
Molecular FormulaC66H48N6
Molecular Weight925.15 g/mol
Exact Mass924.39
IUPAC Name1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc43)c3nc4ccccc4nc23)c2ccccc21
InChIInChI=1S/C66H48N6/c1-65(2)47-21-7-15-29-57(47)69(58-30-16-8-22-48(58)65)41-33-35-55-45(39-41)43-19-5-13-27-53(43)71(55)61-37-38-62(64-63(61)67-51-25-11-12-26-52(51)68-64)72-54-28-14-6-20-44(54)46-40-42(34-36-56(46)72)70-59-31-17-9-23-49(59)66(3,4)50-24-10-18-32-60(50)70/h5-40H,1-4H3
InChIKeyIPYSIWWDDPBXAS-UHFFFAOYSA-N
XLogP17.20
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.15
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
9-[2-[3,5-bis[5-[3,6-di(carbazol-9-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]-3,6-di(carbazol-9-yl)carbazole;10-[9-[2-[3,5-bis[5-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-5-yl]carbazol-3-yl]-9,9-dimethylacridine
CID 159694810
10-[9-[2-[3,5-bis[4-[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]-9,9-dimethylacridine
CID 153482873
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
2,7,9,9-tetramethyl-10-(9-methylcarbazol-3-yl)acridine
CID 158231626
29-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-22,22,33,33-tetramethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140926861
9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061389

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine?
The IUPAC name of 1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine (CID 140917933) is 1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine.
What is the SMILES notation for 1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine?
The canonical SMILES for 1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine is CC1(C)c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-n3c4ccccc4c4cc(N5c6ccccc6C(C)(C)c6ccccc65)ccc43)c3nc4ccccc4nc23)c2ccccc21.
What is the InChIKey of 1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine?
The InChIKey is IPYSIWWDDPBXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N6/c1-65(2)47-21-7-15-29-57(47)69(58-30-16-8-22-48(58)65)41-33-35-55-45(39-41)43-19-5-13-27-53(43)71(55)61-37-38-62(64-63(61)67-51-25-11-12-26-52(51)68-64)72-54-28-14-6-20-44(54)46-40-42(34-36-56(46)72)70-59-31-17-9-23-49(59)66(3,4)50-24-10-18-32-60(50)70/h5-40H,1-4H3.
What are the key properties of 1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine?
1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine has a molecular weight of 925.15 g/mol, XLogP of 17.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine is sourced from PubChem (CID 140917933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).