5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole]

C49H30N2OS — CID 134351862

IUPAC5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4Oc4c3ccc3c4c4ccccc4n3-c3ccc4sc5ccccc5c4c3)c3ccccc32)cc1
InChIInChI=1S/C49H30N2OS/c1-2-14-31(15-3-1)50-41-22-10-6-18-36(41)49(37-19-7-11-23-42(37)50)38-20-8-12-24-44(38)52-48-39(49)27-28-43-47(48)34-17-4-9-21-40(34)51(43)32-26-29-46-35(30-32)33-16-5-13-25-45(33)53-46/h1-30H
InChIKeySSVNAWVRFBHPCU-UHFFFAOYSA-N
MW694.86 g/mol
LogP13.42
Rot. Bonds2

About 5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole]

5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole] (PubChem CID 134351862) has the molecular formula C49H30N2OS and a molecular weight of 694.86 g/mol. Its IUPAC name is 5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole].

Molecular Properties

Compound Name5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole]
PubChem CID134351862
Molecular FormulaC49H30N2OS
Molecular Weight694.86 g/mol
Exact Mass694.21
IUPAC Name5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4Oc4c3ccc3c4c4ccccc4n3-c3ccc4sc5ccccc5c4c3)c3ccccc32)cc1
InChIInChI=1S/C49H30N2OS/c1-2-14-31(15-3-1)50-41-22-10-6-18-36(41)49(37-19-7-11-23-42(37)50)38-20-8-12-24-44(38)52-48-39(49)27-28-43-47(48)34-17-4-9-21-40(34)51(43)32-26-29-46-35(30-32)33-16-5-13-25-45(33)53-46/h1-30H
InChIKeySSVNAWVRFBHPCU-UHFFFAOYSA-N
XLogP13.42
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.86
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 134351848
5'-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]
CID 134351523
5'-dibenzofuran-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole];5'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole];5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole]
CID 158256076
13'-dibenzothiophen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-thiochromeno[2,3-a]carbazole];5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole];10'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,14'-21-oxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 161024683
5-dibenzothiophen-2-ylspiro[chromeno[3,2-c]carbazole-8,9'-fluorene];5'-dibenzothiophen-3-ylspiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole];5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,8'-thiochromeno[3,2-c]carbazole]
CID 159326715
11-dibenzothiophen-2-yl-7,19-diphenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;10',11-diphenyl-19-[4-[3-(4-phenylphenyl)phenyl]phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine];10',11-diphenyl-19-[3-(3-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine];10',11-diphenyl-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine];10'-phenyl-11-[3-(4-phenylphenyl)phenyl]-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine];10',11,19-triphenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine]
CID 159248171
11-dibenzothiophen-2-yl-7,19-diphenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20,22,24,26-dodecaene;10',11-diphenyl-19-[3-(3-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine];10',11-diphenyl-19-[3-(4-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine];10',11-diphenyl-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine];10'-phenyl-11-[3-(4-phenylphenyl)phenyl]-19-[4-(4-phenylphenyl)phenyl]spiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine];10',11,19-triphenylspiro[11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene-15,9'-acridine]
CID 160978877
CID 160598394
CID 160598394
3'-carbazol-9-yl-10',14-diphenylspiro[10-thia-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide
CID 164736553
2-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9,9-dimethyl-10-phenylacridine
CID 70936057
3,6-di(carbazol-9-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 122367921
6-dibenzothiophen-2-yl-11-phenyl-21-oxa-6,11-diazahexacyclo[14.4.1.05,20.07,19.010,18.012,17]henicosa-1,3,5(20),7(19),8,10(18),12(17),13,15-nonaene
CID 135130545

Frequently Asked Questions

What is the IUPAC name of 5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole]?
The IUPAC name of 5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole] (CID 134351862) is 5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole].
What is the SMILES notation for 5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole]?
The canonical SMILES for 5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole] is c1ccc(N2c3ccccc3C3(c4ccccc4Oc4c3ccc3c4c4ccccc4n3-c3ccc4sc5ccccc5c4c3)c3ccccc32)cc1.
What is the InChIKey of 5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole]?
The InChIKey is SSVNAWVRFBHPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2OS/c1-2-14-31(15-3-1)50-41-22-10-6-18-36(41)49(37-19-7-11-23-42(37)50)38-20-8-12-24-44(38)52-48-39(49)27-28-43-47(48)34-17-4-9-21-40(34)51(43)32-26-29-46-35(30-32)33-16-5-13-25-45(33)53-46/h1-30H.
What are the key properties of 5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole]?
5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole] has a molecular weight of 694.86 g/mol, XLogP of 13.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-dibenzothiophen-2-yl-10-phenylspiro[acridine-9,8'-chromeno[3,2-c]carbazole] is sourced from PubChem (CID 134351862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).