14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C60H42N2O — CID 146213167

IUPAC14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2N(c2ccc3c(ccc4cc(N5c6ccccc6Oc6cc7c(cc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc43)c2)c2ccccc21
InChIInChI=1S/C60H42N2O/c1-59(2)50-23-11-13-25-53(50)61(54-26-14-12-24-51(54)59)43-31-33-45-39(35-43)29-30-40-36-44(32-34-46(40)45)62-55-27-15-16-28-57(55)63-58-37-48-47-21-9-10-22-49(47)60(52(48)38-56(58)62,41-17-5-3-6-18-41)42-19-7-4-8-20-42/h3-38H,1-2H3
InChIKeyHNQAUWBISVYDSQ-UHFFFAOYSA-N
MW807.01 g/mol
LogP16.04
Rot. Bonds4

About 14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 146213167) has the molecular formula C60H42N2O and a molecular weight of 807.01 g/mol. Its IUPAC name is 14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
PubChem CID146213167
Molecular FormulaC60H42N2O
Molecular Weight807.01 g/mol
Exact Mass806.33
IUPAC Name14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2N(c2ccc3c(ccc4cc(N5c6ccccc6Oc6cc7c(cc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc43)c2)c2ccccc21
InChIInChI=1S/C60H42N2O/c1-59(2)50-23-11-13-25-53(50)61(54-26-14-12-24-51(54)59)43-31-33-45-39(35-43)29-30-40-36-44(32-34-46(40)45)62-55-27-15-16-28-57(55)63-58-37-48-47-21-9-10-22-49(47)60(52(48)38-56(58)62,41-17-5-3-6-18-41)42-19-7-4-8-20-42/h3-38H,1-2H3
InChIKeyHNQAUWBISVYDSQ-UHFFFAOYSA-N
XLogP16.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.01
LogP ≤ 516.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene with MolForge

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Related Compounds

7-(9,9-dimethylfluoren-3-yl)-10-(9,9-diphenylfluoren-3-yl)benzo[c]phenoxazine
CID 155791237
10-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)spiro[acridine-9,9'-fluorene];10-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)spiro[acridine-9,9'-xanthene];10-(9,9-dimethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;10-(9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 162145849
CID 146495452
CID 146495452
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-dimethyl-10-(9,9'-spirobi[fluorene]-2-yl)acridine;9,9-dimethyl-10-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]acridine;10-(9,9'-spirobi[fluorene]-2-yl)phenoxazine
CID 159284639
12,12,20,20-tetraphenyl-2-(2-phenylphenyl)-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6,8,10,13,18,21,23,25,27-dodecaene
CID 126612035
10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenoxazine
CID 135229425
4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine;10-[4-[4-(4-phenothiazin-10-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 158041243
2-(12,12-dimethyl-5-phenylbenzo[b]acridin-2-yl)-12-phenanthren-2-ylbenzo[b]phenoxazine
CID 155791112
10,10,21,21-tetramethyl-14-(6-methylnaphthalen-2-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 139460040
9-(9,9-dimethylfluoren-1-yl)-10-(9,9-dimethylfluoren-2-yl)-9-phenylacridine
CID 153463086
14-(4,6-diphenylpyrimidin-2-yl)-21,21-dimethyl-10,10-diphenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 67472191

Frequently Asked Questions

What is the IUPAC name of 14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The IUPAC name of 14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 146213167) is 14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.
What is the SMILES notation for 14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The canonical SMILES for 14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC1(C)c2ccccc2N(c2ccc3c(ccc4cc(N5c6ccccc6Oc6cc7c(cc65)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc43)c2)c2ccccc21.
What is the InChIKey of 14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
The InChIKey is HNQAUWBISVYDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2O/c1-59(2)50-23-11-13-25-53(50)61(54-26-14-12-24-51(54)59)43-31-33-45-39(35-43)29-30-40-36-44(32-34-46(40)45)62-55-27-15-16-28-57(55)63-58-37-48-47-21-9-10-22-49(47)60(52(48)38-56(58)62,41-17-5-3-6-18-41)42-19-7-4-8-20-42/h3-38H,1-2H3.
What are the key properties of 14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?
14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 807.01 g/mol, XLogP of 16.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[7-(9,9-dimethylacridin-10-yl)phenanthren-2-yl]-10,10-diphenyl-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 146213167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).