N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine

C52H37NO4 — CID 118081342

IUPACN-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Oc3ccccc3O5)c3cccc4ccccc34)ccc2-c2c1ccc1c2Oc2ccccc2O1
InChIInChI=1S/C52H37NO4/c1-51(2)36-24-26-45-49(56-43-18-9-7-16-41(43)54-45)47(36)34-22-20-31(28-38(34)51)53(40-15-11-13-30-12-5-6-14-33(30)40)32-21-23-35-39(29-32)52(3,4)37-25-27-46-50(48(35)37)57-44-19-10-8-17-42(44)55-46/h5-29H,1-4H3
InChIKeyWPZIABXOIQXSNQ-UHFFFAOYSA-N
MW739.87 g/mol
LogP14.72
Rot. Bonds3

About N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine

N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine (PubChem CID 118081342) has the molecular formula C52H37NO4 and a molecular weight of 739.87 g/mol. Its IUPAC name is N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine.

Molecular Properties

Compound NameN-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine
PubChem CID118081342
Molecular FormulaC52H37NO4
Molecular Weight739.87 g/mol
Exact Mass739.27
IUPAC NameN-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Oc3ccccc3O5)c3cccc4ccccc34)ccc2-c2c1ccc1c2Oc2ccccc2O1
InChIInChI=1S/C52H37NO4/c1-51(2)36-24-26-45-49(56-43-18-9-7-16-41(43)54-45)47(36)34-22-20-31(28-38(34)51)53(40-15-11-13-30-12-5-6-14-33(30)40)32-21-23-35-39(29-32)52(3,4)37-25-27-46-50(48(35)37)57-44-19-10-8-17-42(44)55-46/h5-29H,1-4H3
InChIKeyWPZIABXOIQXSNQ-UHFFFAOYSA-N
XLogP14.72
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.87
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]phenoxathiin-1-amine
CID 118081275
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-5-ylphenyl)fluoren-2-amine;1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)benzene-1,4-diamine;N-phenyl-4-(4-phenylphenyl)-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-5-ylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)aniline;N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-ylphenyl)naphthalen-1-amine
CID 160694503
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
27,27-dimethyl-N,N-diphenyl-12,18-dioxa-1-boraoctacyclo[15.14.1.02,11.03,8.013,32.019,31.020,28.021,26]dotriaconta-2(11),3,5,7,9,13(32),14,16,19(31),20(28),21(26),22,24,29-tetradecaen-24-amine
CID 144879361
N,N-bis(7,7-dimethylbenzo[g]fluoren-9-yl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90272762
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
N-(9,9-dimethylfluoren-2-yl)-14,14-dimethyl-N-naphthalen-1-yl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656649
9,9-dimethyl-4-[9-methyl-2,7-bis(N-naphthalen-1-ylanilino)fluoren-9-yl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 139968338
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
9,9-dimethyl-N-phenyl-N-(2-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)fluoren-2-amine
CID 138582947

Frequently Asked Questions

What is the IUPAC name of N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine?
The IUPAC name of N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine (CID 118081342) is N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine.
What is the SMILES notation for N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine?
The canonical SMILES for N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine is CC1(C)c2cc(N(c3ccc4c(c3)C(C)(C)c3ccc5c(c3-4)Oc3ccccc3O5)c3cccc4ccccc34)ccc2-c2c1ccc1c2Oc2ccccc2O1.
What is the InChIKey of N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine?
The InChIKey is WPZIABXOIQXSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NO4/c1-51(2)36-24-26-45-49(56-43-18-9-7-16-41(43)54-45)47(36)34-22-20-31(28-38(34)51)53(40-15-11-13-30-12-5-6-14-33(30)40)32-21-23-35-39(29-32)52(3,4)37-25-27-46-50(48(35)37)57-44-19-10-8-17-42(44)55-46/h5-29H,1-4H3.
What are the key properties of N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine?
N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine has a molecular weight of 739.87 g/mol, XLogP of 14.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8,8-dimethylindeno[1,2-a]oxanthren-10-yl)-8,8-dimethyl-N-naphthalen-1-ylindeno[1,2-a]oxanthren-10-amine is sourced from PubChem (CID 118081342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).